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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC=C1)C(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CN(CCOC1=CC=CC=C1)C(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-23(12-17-29-20-6-3-2-4-7-20)22(27)19-8-9-21(26)25(18-19)11-5-10-24-13-15-28-16-14-24/h2-4,6-7,19H,5,8-18H2,1H3/p+1/t19-/m0/s1