dimethyl-[[2-[[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[2-[[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]methyl]benzyl]ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C23H30N4O3/c1-17-10-12-26(13-11-17)22-9-8-20(27(29)30)14-21(22)23(28)24-15-18-6-4-5-7-19(18)16-25(2)3/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,24,28)/p+1