dimethyl-[[1-[(3-methylphenyl)-(4-nitrophenyl)carbonyloxy-methyl]cyclohexyl]methyl]azanium

Systemtic Name: dimethyl-[[1-[(3-methylphenyl)-(4-nitrophenyl)carbonyloxy-methyl]cyclohexyl]methyl]azanium Openeye Name: dimethyl-[[1-[m-tolyl-(4-nitrobenzoyl)oxy-methyl]cyclohexyl]methyl]ammonium CAS Name: dimethyl-[[1-[(3-methylphenyl)-[(4-nitrophenyl)-oxomethoxy]methyl]cyclohexyl]methyl]ammonium IUPAC Name: dimethyl-[[1-[(3-methylphenyl)-(4-nitrobenzoyl)oxymethyl]cyclohexyl]methyl]azanium Traditional Name: dimethyl-[[1-[m-tolyl-(4-nitrobenzoyl)oxy-methyl]cyclohexyl]methyl]ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2(CCCCC2)C[NH+](C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C(C2(CCCCC2)C[NH+](C)C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O4/c1-18-8-7-9-20(16-18)22(24(17-25(2)3)14-5-4-6-15-24)30-23(27)19-10-12-21(13-11-19)26(28)29/h7-13,16,22H,4-6,14-15,17H2,1-3H3/p+1