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

Systemtic Name: 1-(1H-indazol-5-yl)-1-[(4-methyl-3-nitro-phenyl)methyl]piperidin-1-ium-3-amine Openeye Name: 1-(1H-indazol-5-yl)-1-[(4-methyl-3-nitro-phenyl)methyl]piperidin-1-ium-3-amine CAS Name: 1-(1H-indazol-5-yl)-1-[(4-methyl-3-nitrophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: 1-(1H-indazol-5-yl)-1-[(4-methyl-3-nitrophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [1-(1H-indazol-5-yl)-1-(4-methyl-3-nitro-benzyl)piperidin-1-ium-3-yl]amine Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[N+]2(CCCC(C2)N)C3=CC4=C(C=C3)NN=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C[N+]2(CCCC(C2)N)C3=CC4=C(C=C3)NN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H24N5O2/c1-14-4-5-15(9-20(14)24(26)27)12-25(8-2-3-17(21)13-25)18-6-7-19-16(10-18)11-22-23-19/h4-7,9-11,17H,2-3,8,12-13,21H2,1H3,(H,22,23)/q+1