phenyl 3-methyl-1-piperidin-4-yl-indazol-1-ium-1-carboxylate

Systemtic Name: phenyl 3-methyl-1-piperidin-4-yl-indazol-1-ium-1-carboxylate Openeye Name: phenyl 3-methyl-1-(4-piperidyl)indazol-1-ium-1-carboxylate CAS Name: 3-methyl-1-(4-piperidinyl)-1-indazol-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 3-methyl-1-piperidin-4-ylindazol-1-ium-1-carboxylate Traditional Name: 3-methyl-1-(4-piperidyl)indazol-1-ium-1-carboxylic acid phenyl ester Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C2=CC=CC=C12)(C3CCNCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=N[N+](C2=CC=CC=C12)(C3CCNCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H22N3O2/c1-15-18-9-5-6-10-19(18)23(22-15,16-11-13-21-14-12-16)20(24)25-17-7-3-2-4-8-17/h2-10,16,21H,11-14H2,1H3/q+1