ethyl (6S)-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C26H32ClN4O3+ MolecularWeight: 484.01028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H31ClN4O3/c1-3-31-22(18-29-13-15-30(16-14-29)21-12-8-11-20(27)17-21)23(25(32)34-4-2)24(28-26(31)33)19-9-6-5-7-10-19/h5-12,17,24H,3-4,13-16,18H2,1-2H3,(H,28,33)/p+1/t24-/m0/s1