methyl (2S,4S)-4-[(2,3-dimethyl-1H-indol-7-yl)carbonylamino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indol-7-yl)carbonylamino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(2,3-dimethyl-1H-indol-7-yl)-oxomethyl]amino]-1-(1-phenethyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-1-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C30H40N4O3+2 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=CC=C2C(=O)NC3CC([NH+](C3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C(=O)OC)C

Isomeric SMILES

CC1=C(NC2=C1C=CC=C2C(=O)N[C@H]3C[C@H]([NH+](C3)C4CC[NH+](CC4)CCC5=CC=CC=C5)C(=O)OC)C

InChI

InChI=1S/C30H38N4O3/c1-20-21(2)31-28-25(20)10-7-11-26(28)29(35)32-23-18-27(30(36)37-3)34(19-23)24-13-16-33(17-14-24)15-12-22-8-5-4-6-9-22/h4-11,23-24,27,31H,12-19H2,1-3H3,(H,32,35)/p+2/t23-,27-/m0/s1