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

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-[4-(2-pyridyl)butyl]piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-[4-(2-pyridinyl)butyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-[4-(2-pyridyl)butyl]nipecotamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCCCC2=CC=CC=N2)CC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCCCC2=CC=CC=N2)CC[NH+]3CCOCC3

InChI

InChI=1S/C21H32N4O3/c26-20-8-7-18(17-25(20)12-11-24-13-15-28-16-14-24)21(27)23-10-4-2-6-19-5-1-3-9-22-19/h1,3,5,9,18H,2,4,6-8,10-17H2,(H,23,27)/p+1/t18-/m0/s1