(3-azanylindazol-1-yl)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: (3-azanylindazol-1-yl)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: (3-aminoindazol-1-yl)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: (3-amino-1-indazolyl)-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: (3-aminoindazol-1-yl)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: (3-aminoindazol-1-yl)-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H22N4O/c21-19-17-6-2-3-7-18(17)24(22-19)20(25)16-10-8-15(9-11-16)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22)/p+1