[1-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxy-azanium

Systemtic Name: [1-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxy-azanium Openeye Name: [1-(2-bromo-4-isopropyl-phenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxy-ammonium CAS Name: [1-(2-bromo-4-propan-2-ylphenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxyammonium IUPAC Name: [1-(2-bromo-4-propan-2-ylphenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxyazanium Traditional Name: [1-(2-bromo-4-isopropyl-phenyl)-2-methyl-5-nitro-2H-pyridin-4-yl]-ethyl-dimethoxy-ammonium Formula: C19H27BrN3O4+ MolecularWeight: 441.33938

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC(N(C=C1[N+](=O)[O-])C2=C(C=C(C=C2)C(C)C)Br)C)(OC)OC

Isomeric SMILES

CC[N+](C1=CC(N(C=C1[N+](=O)[O-])C2=C(C=C(C=C2)C(C)C)Br)C)(OC)OC

InChI

InChI=1S/C19H27BrN3O4/c1-7-23(26-5,27-6)19-10-14(4)21(12-18(19)22(24)25)17-9-8-15(13(2)3)11-16(17)20/h8-14H,7H2,1-6H3/q+1