methyl (2S)-3-methyl-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotoyl]amino]butyric acid methyl ester Formula: C26H42N3O3+ MolecularWeight: 444.62998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H41N3O3/c1-20(2)24(26(31)32-3)27-25(30)22-11-18-29(19-12-22)23-13-16-28(17-14-23)15-7-10-21-8-5-4-6-9-21/h4-6,8-9,20,22-24H,7,10-19H2,1-3H3,(H,27,30)/p+1/t24-/m0/s1