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

Systemtic Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-[3-(3-pyridyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-[3-(3-pyridinyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)-N-[3-(3-pyridyl)propyl]nipecotamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O3/c26-20-7-6-19(17-25(20)11-3-10-24-12-14-28-15-13-24)21(27)23-9-2-5-18-4-1-8-22-16-18/h1,4,8,16,19H,2-3,5-7,9-15,17H2,(H,23,27)/p+1/t19-/m0/s1