(4S)-N-(2-methoxyphenyl)-6-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4,5-dihydro-1H-pyrimidine-4-carboxamide

Systemtic Name: (4S)-N-(2-methoxyphenyl)-6-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-4,5-dihydro-1H-pyrimidine-4-carboxamide Openeye Name: (4S)-2-(4-benzylpiperazin-4-ium-1-yl)-N-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide CAS Name: (4S)-N-(2-methoxyphenyl)-6-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4,5-dihydro-1H-pyrimidine-4-carboxamide IUPAC Name: (4S)-2-(4-benzylpiperazin-4-ium-1-yl)-N-(2-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide Traditional Name: (4S)-2-(4-benzylpiperazin-4-ium-1-yl)-6-keto-N-(2-methoxyphenyl)-4,5-dihydro-1H-pyrimidine-4-carboxamide Formula: C23H28N5O3+ MolecularWeight: 422.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CC(=O)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)[C@@H]2CC(=O)NC(=N2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3/c1-31-20-10-6-5-9-18(20)24-22(30)19-15-21(29)26-23(25-19)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,19H,11-16H2,1H3,(H,24,30)(H,25,26,29)/p+1/t19-/m0/s1