[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C21H26BrN4O3+ MolecularWeight: 462.36014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H25BrN4O3/c1-24(14-16-7-3-4-8-20(16)25-11-5-2-6-12-25)15-21(27)23-19-10-9-17(26(28)29)13-18(19)22/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,23,27)/p+1