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

Systemtic Name: ethyl (4S)-2-oxidanylidene-6-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-2-oxo-6-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-2-oxo-6-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-oxo-6-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H34N5O4+ MolecularWeight: 456.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H33N5O4/c1-2-33-23(31)21-19(25-24(32)26-22(21)18-8-4-3-5-9-18)16-27-12-14-28(15-13-27)17-20(30)29-10-6-7-11-29/h3-5,8-9,22H,2,6-7,10-17H2,1H3,(H2,25,26,32)/p+1/t22-/m0/s1