2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazol-3-one

Systemtic Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazol-3-one Openeye Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazol-3-one CAS Name: 2-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-1-phenyl-3-indazolone IUPAC Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenylindazol-3-one Traditional Name: 2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-1-phenyl-indazolin-3-one Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCCC1)CCCN2C(=O)C3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C22H28N3O/c1-25(16-8-3-9-17-25)18-10-15-23-22(26)20-13-6-7-14-21(20)24(23)19-11-4-2-5-12-19/h2,4-7,11-14H,3,8-10,15-18H2,1H3/q+1