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

Systemtic Name: dimethyl-[[4-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[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=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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