[1-[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]imidazol-2-yl]-diethyl-methyl-azanium

Systemtic Name: [1-[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]imidazol-2-yl]-diethyl-methyl-azanium Openeye Name: [1-[2-(2-chlorobenzoyl)-4-nitro-phenyl]imidazol-2-yl]-diethyl-methyl-ammonium CAS Name: [1-[2-[(2-chlorophenyl)-oxomethyl]-4-nitrophenyl]-2-imidazolyl]-diethyl-methylammonium IUPAC Name: [1-[2-(2-chlorobenzoyl)-4-nitrophenyl]imidazol-2-yl]-diethyl-methylazanium Traditional Name: [1-[2-(2-chlorobenzoyl)-4-nitro-phenyl]imidazol-2-yl]-diethyl-methyl-ammonium Formula: C21H22ClN4O3+ MolecularWeight: 413.87738

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)C1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC[N+](C)(CC)C1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN4O3/c1-4-26(3,5-2)21-23-12-13-24(21)19-11-10-15(25(28)29)14-17(19)20(27)16-8-6-7-9-18(16)22/h6-14H,4-5H2,1-3H3/q+1