ethyl (4S)-4-methyl-2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-2-oxidanylidene-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-2-oxo-6-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-2-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H26N4O3/c1-3-26-18(24)17-14(2)20-19(25)21-16(17)13-22-9-11-23(12-10-22)15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H2,20,21,25)/p+1/t14-/m0/s1