(5-ethyl-3-methyl-2-nitro-imidazol-4-yl)methyl-[[6-methoxy-7-prop-1-ynyl-3-(3,4,5-trimethoxyphenyl)carbonyl-indazol-1-yl]methyl]-dimethyl-azanium

Systemtic Name: (5-ethyl-3-methyl-2-nitro-imidazol-4-yl)methyl-[[6-methoxy-7-prop-1-ynyl-3-(3,4,5-trimethoxyphenyl)carbonyl-indazol-1-yl]methyl]-dimethyl-azanium Openeye Name: (5-ethyl-3-methyl-2-nitro-imidazol-4-yl)methyl-[[6-methoxy-7-prop-1-ynyl-3-(3,4,5-trimethoxybenzoyl)indazol-1-yl]methyl]-dimethyl-ammonium CAS Name: (5-ethyl-3-methyl-2-nitro-4-imidazolyl)methyl-[[6-methoxy-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-7-prop-1-ynyl-1-indazolyl]methyl]-dimethylammonium IUPAC Name: (5-ethyl-3-methyl-2-nitroimidazol-4-yl)methyl-[[6-methoxy-7-prop-1-ynyl-3-(3,4,5-trimethoxybenzoyl)indazol-1-yl]methyl]-dimethylazanium Traditional Name: (5-ethyl-3-methyl-2-nitro-imidazol-4-yl)methyl-[[6-methoxy-7-prop-1-ynyl-3-(3,4,5-trimethoxybenzoyl)indazol-1-yl]methyl]-dimethyl-ammonium Formula: C31H37N6O7+ MolecularWeight: 605.66148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=N1)[N+](=O)[O-])C)C[N+](C)(C)CN2C3=C(C=CC(=C3C#CC)OC)C(=N2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCC1=C(N(C(=N1)[N+](=O)[O-])C)C[N+](C)(C)CN2C3=C(C=CC(=C3C#CC)OC)C(=N2)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C31H37N6O7/c1-10-12-20-24(41-6)14-13-21-27(29(38)19-15-25(42-7)30(44-9)26(16-19)43-8)33-35(28(20)21)18-37(4,5)17-23-22(11-2)32-31(34(23)3)36(39)40/h13-16H,11,17-18H2,1-9H3/q+1