methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-(3-nitroanilino)-2-oxo-ethyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-(3-nitroanilino)-2-oxoethyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-(3-nitroanilino)-2-oxoethyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(3-nitroanilino)ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-23(16-21(26)22-18-9-7-10-19(14-18)25(27)28)15-17-8-3-4-11-20(17)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,22,26)/p+1