(3S)-N-[3-(2-methoxyphenyl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[3-(2-methoxyphenyl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(2-methoxyphenyl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[3-(2-methoxyphenyl)propyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(2-methoxyphenyl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[3-(2-methoxyphenyl)propyl]-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCCNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC=C1CCCNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C23H35N3O4/c1-29-21-8-3-2-6-19(21)7-4-11-24-23(28)20-9-10-22(27)26(18-20)13-5-12-25-14-16-30-17-15-25/h2-3,6,8,20H,4-5,7,9-18H2,1H3,(H,24,28)/p+1/t20-/m0/s1