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

Systemtic Name: 2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]ethyl]ammonium CAS Name: 2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[(3-nitro-4-piperidino-benzoyl)amino]ethyl]ammonium Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O3/c1-15(2)23(16(3)4)13-10-21-20(25)17-8-9-18(19(14-17)24(26)27)22-11-6-5-7-12-22/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,21,25)/p+1