(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[[3-(1-pyrrolidinyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[(3-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-(3-pyrrolidinobenzyl)nipecotamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC(=C2)CNC(=O)C3CCC(=O)N(C3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)C2=CC=CC(=C2)CNC(=O)[C@H]3CCC(=O)N(C3)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H34N4O3/c28-22-7-6-20(18-27(22)11-10-25-12-14-30-15-13-25)23(29)24-17-19-4-3-5-21(16-19)26-8-1-2-9-26/h3-5,16,20H,1-2,6-15,17-18H2,(H,24,29)/p+1/t20-/m0/s1