ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(3,4-dimethoxyphenyl)-6-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-6-keto-2-(4-pyridin-1-ium-2-ylpiperazino)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H30N5O5+ MolecularWeight: 468.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N5O5/c1-4-34-23(31)20-21(16-8-9-17(32-2)18(15-16)33-3)26-24(27-22(20)30)29-13-11-28(12-14-29)19-7-5-6-10-25-19/h5-10,15,20-21H,4,11-14H2,1-3H3,(H,26,27,30)/p+1/t20-,21+/m0/s1