(4S)-6-oxidanylidene-N-(phenylmethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4S)-6-oxidanylidene-N-(phenylmethyl)-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Openeye Name: (4S)-N-benzyl-6-oxo-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide CAS Name: (4S)-6-oxo-N-(phenylmethyl)-2-(1-piperidin-1-iumylidene)-1,3-diazinane-4-carboxamide IUPAC Name: (4S)-N-benzyl-6-oxo-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Traditional Name: (4S)-N-benzyl-6-keto-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2NC(CC(=O)N2)C(=O)NCC3=CC=CC=C3)CC1

Isomeric SMILES

C1CC[N+](=C2N[C@@H](CC(=O)N2)C(=O)NCC3=CC=CC=C3)CC1

InChI

InChI=1S/C17H22N4O2/c22-15-11-14(16(23)18-12-13-7-3-1-4-8-13)19-17(20-15)21-9-5-2-6-10-21/h1,3-4,7-8,14H,2,5-6,9-12H2,(H2,18,19,20,22,23)/p+1/t14-/m0/s1