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

Systemtic Name: dimethyl-[(1S)-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(3-nitro-4-piperidino-benzoyl)amino]-1-phenyl-ethyl]ammonium Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-24(2)21(17-9-5-3-6-10-17)16-23-22(27)18-11-12-19(20(15-18)26(28)29)25-13-7-4-8-14-25/h3,5-6,9-12,15,21H,4,7-8,13-14,16H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1