[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C

InChI

InChI=1S/C23H30N4O3/c1-17-11-12-21(27(29)30)23(18(17)2)24-22(28)16-25(3)15-19-9-5-6-10-20(19)26-13-7-4-8-14-26/h5-6,9-12H,4,7-8,13-16H2,1-3H3,(H,24,28)/p+1