(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-morpholin-4-ium-4-ylethyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-1-(2-morpholin-4-ium-4-ylethyl)-N-piperonyl-nipecotamide Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC[NH+]4CCOCC4

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC3=C(C=C2)OCO3)CC[NH+]4CCOCC4

InChI

InChI=1S/C20H27N3O5/c24-19-4-2-16(13-23(19)6-5-22-7-9-26-10-8-22)20(25)21-12-15-1-3-17-18(11-15)28-14-27-17/h1,3,11,16H,2,4-10,12-14H2,(H,21,25)/p+1/t16-/m0/s1