2-methoxyethyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: 2-methoxyethyl 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: 2-methoxyethyl 3-(2-amino-2-oxo-ethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 3-(2-amino-2-oxoethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(2-amino-2-oxoethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(4-chlorobenzyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-4-ium-1-carboxylic acid 2-methoxyethyl ester Formula: C24H28Cl2N7O4+ MolecularWeight: 549.42962

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

COCCOC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C24H27Cl2N7O4/c1-36-10-11-37-24(35)31-8-9-33(19(14-31)12-21(27)34,15-17-2-4-18(25)5-3-17)22-13-20(26)29-23(30-22)32-7-6-28-16-32/h2-7,13,16,19H,8-12,14-15H2,1H3,(H-,27,34)/p+1