(3S)-1-(4-chlorophenyl)carbonyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]nipecotamide Formula: C25H31ClN3O3+ MolecularWeight: 456.98494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N[C@@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30ClN3O3/c26-22-10-8-20(9-11-22)25(31)29-12-4-7-21(17-29)24(30)27-23(19-5-2-1-3-6-19)18-28-13-15-32-16-14-28/h1-3,5-6,8-11,21,23H,4,7,12-18H2,(H,27,30)/p+1/t21-,23-/m0/s1