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

Systemtic Name: dimethyl-[1-[[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[[1-(2-nitrophenyl)isonipecotoyl]amino]methyl]cycloheptyl]ammonium Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H34N4O3/c1-24(2)22(13-7-3-4-8-14-22)17-23-21(27)18-11-15-25(16-12-18)19-9-5-6-10-20(19)26(28)29/h5-6,9-10,18H,3-4,7-8,11-17H2,1-2H3,(H,23,27)/p+1