methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-17-10-11-19(26(28)29)14-20(17)23-22(27)16-24(2)15-18-8-4-5-9-21(18)25-12-6-3-7-13-25/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,23,27)/p+1