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

Systemtic Name: ethyl (4S,5S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-4-phenyl-2-(4-piperonylpiperazin-4-ium-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N4O5+ MolecularWeight: 465.52156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O5/c1-2-32-24(31)21-22(18-6-4-3-5-7-18)26-25(27-23(21)30)29-12-10-28(11-13-29)15-17-8-9-19-20(14-17)34-16-33-19/h3-9,14,21-22H,2,10-13,15-16H2,1H3,(H,26,27,30)/p+1/t21-,22+/m0/s1