methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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