2-methylpropyl 6-chloranyl-3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate

Systemtic Name: 2-methylpropyl 6-chloranyl-3-(2-chloranyl-4-nitro-imidazol-1-yl)-2-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Openeye Name: isobutyl 6-chloro-3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate CAS Name: 6-chloro-3-(2-chloro-4-nitro-1-imidazolyl)-2-hydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-chloro-3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylate Traditional Name: 6-chloro-3-(2-chloro-4-nitro-imidazol-1-yl)-2-hydroxy-3,4-dihydro-1H-isoquinolin-2-ium-2-carboxylic acid isobutyl ester Formula: C17H19Cl2N4O5+ MolecularWeight: 430.26256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)[N+]1(CC2=C(CC1N3C=C(N=C3Cl)[N+](=O)[O-])C=C(C=C2)Cl)O

Isomeric SMILES

CC(C)COC(=O)[N+]1(CC2=C(CC1N3C=C(N=C3Cl)[N+](=O)[O-])C=C(C=C2)Cl)O

InChI

InChI=1S/C17H19Cl2N4O5/c1-10(2)9-28-17(24)23(27)8-11-3-4-13(18)5-12(11)6-15(23)21-7-14(22(25)26)20-16(21)19/h3-5,7,10,15,27H,6,8-9H2,1-2H3/q+1