dimethyl-[[2-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[1-(2-nitrophenyl)isonipecotoyl]amino]methyl]benzyl]ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-24(2)16-19-8-4-3-7-18(19)15-23-22(27)17-11-13-25(14-12-17)20-9-5-6-10-21(20)26(28)29/h3-10,17H,11-16H2,1-2H3,(H,23,27)/p+1