dimethyl-[(1R)-2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]-1-phenyl-ethyl]ammonium Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O3/c1-17-11-13-26(14-12-17)20-10-9-19(15-21(20)27(29)30)23(28)24-16-22(25(2)3)18-7-5-4-6-8-18/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,24,28)/p+1/t22-/m0/s1