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

Systemtic Name: (3S)-N-[3-(4-methoxyphenyl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[3-(4-methoxyphenyl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[3-(4-methoxyphenyl)propyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[3-(4-methoxyphenyl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-[3-(4-methoxyphenyl)propyl]-1-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCNC(=O)C2CCC(=O)N(C2)CC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCCNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-28-20-7-4-18(5-8-20)3-2-10-23-22(27)19-6-9-21(26)25(17-19)12-11-24-13-15-29-16-14-24/h4-5,7-8,19H,2-3,6,9-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1