1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-amine CAS Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: 1-(1H-indazol-5-yl)-1-[(4-nitrophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [1-(1H-indazol-5-yl)-1-(4-nitrobenzyl)piperidin-1-ium-3-yl]amine Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[N+](C1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)NN=C4)N

Isomeric SMILES

C1CC(C[N+](C1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)NN=C4)N

InChI

InChI=1S/C19H22N5O2/c20-16-2-1-9-24(13-16,12-14-3-5-17(6-4-14)23(25)26)18-7-8-19-15(10-18)11-21-22-19/h3-8,10-11,16H,1-2,9,12-13,20H2,(H,21,22)/q+1