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

Systemtic Name: (4S)-N-(4-ethoxyphenyl)-6-oxidanylidene-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Openeye Name: (4S)-N-(4-ethoxyphenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-hexahydropyrimidine-4-carboxamide CAS Name: (4S)-N-(4-ethoxyphenyl)-6-oxo-2-(1-piperidin-1-iumylidene)-1,3-diazinane-4-carboxamide IUPAC Name: (4S)-N-(4-ethoxyphenyl)-6-oxo-2-piperidin-1-ium-1-ylidene-1,3-diazinane-4-carboxamide Traditional Name: (4S)-6-keto-2-piperidin-1-ium-1-ylidene-N-p-phenetyl-hexahydropyrimidine-4-carboxamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CC(=O)NC(=[N+]3CCCCC3)N2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=[N+]3CCCCC3)N2

InChI

InChI=1S/C18H24N4O3/c1-2-25-14-8-6-13(7-9-14)19-17(24)15-12-16(23)21-18(20-15)22-10-4-3-5-11-22/h6-9,15H,2-5,10-12H2,1H3,(H2,19,20,21,23,24)/p+1/t15-/m0/s1