(3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[3-(3-pyridyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[3-(3-pyridinyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-[3-(3-pyridyl)propyl]nipecotamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCC2=CN=CC=C2)CC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCC2=CN=CC=C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H30N4O3/c25-19-6-5-18(16-24(19)10-9-23-11-13-27-14-12-23)20(26)22-8-2-4-17-3-1-7-21-15-17/h1,3,7,15,18H,2,4-6,8-14,16H2,(H,22,26)/p+1/t18-/m0/s1