(1,1-dimethylpiperidin-1-ium-4-yl) (2S)-1-[(2S)-2-[[(2S)-4-acetyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-1-[(2S)-2-[[(2S)-4-acetyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-1-[(2S)-2-[[(2S)-4-acetoxy-1,1-dimethyl-pyrrolidin-1-ium-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[[(2S)-4-acetyloxy-1,1-dimethyl-2-pyrrolidin-1-iumyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) (2S)-1-[(2S)-2-[[(2S)-4-acetyloxy-1,1-dimethylpyrrolidin-1-ium-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-4-acetoxy-1,1-dimethyl-pyrrolidin-1-ium-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester Formula: C30H46N4O6+2 MolecularWeight: 558.70944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC([N+](C1)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)OC4CC[N+](CC4)(C)C

Isomeric SMILES

CC(=O)OC1C[C@H]([N+](C1)(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)OC4CC[N+](CC4)(C)C

InChI

InChI=1S/C30H45N4O6/c1-21(35)39-24-19-27(34(4,5)20-24)28(36)31-25(18-22-10-7-6-8-11-22)29(37)32-15-9-12-26(32)30(38)40-23-13-16-33(2,3)17-14-23/h6-8,10-11,23-27H,9,12-20H2,1-5H3/q+1/p+1/t24?,25-,26-,27-/m0/s1