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

Systemtic Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-N-(2-phenoxyethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-N-(2-phenoxyethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-(2-phenoxyethyl)nipecotamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCCOC2=CC=CC=C2)CC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCCOC2=CC=CC=C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O4/c24-19-7-6-17(16-23(19)10-9-22-11-14-26-15-12-22)20(25)21-8-13-27-18-4-2-1-3-5-18/h1-5,17H,6-16H2,(H,21,25)/p+1/t17-/m0/s1