2-isoquinolin-2-ium-2-yl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone chloride Openeye Name: 1-(4-benzyl-1-piperidyl)-2-isoquinolin-2-ium-2-yl-ethanone chloride CAS Name: 2-(2-isoquinolin-2-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone chloride IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-isoquinolin-2-ium-2-ylethanone chloride Traditional Name: 1-(4-benzylpiperidino)-2-isoquinolin-2-ium-2-yl-ethanone chloride Formula: C23H25ClN2O MolecularWeight: 380.9104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C23H25N2O.ClH/c26-23(18-24-13-12-21-8-4-5-9-22(21)17-24)25-14-10-20(11-15-25)16-19-6-2-1-3-7-19;/h1-9,12-13,17,20H,10-11,14-16,18H2;1H/q+1;/p-1