tert-butyl-[3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[3-nitro-4-(1-piperidyl)benzoyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]propyl]azanium Traditional Name: tert-butyl-[3-[(3-nitro-4-piperidino-benzoyl)amino]propyl]ammonium Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1=CC(=C(C=C1)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O3/c1-19(2,3)21-11-7-10-20-18(24)15-8-9-16(17(14-15)23(25)26)22-12-5-4-6-13-22/h8-9,14,21H,4-7,10-13H2,1-3H3,(H,20,24)/p+1