1-[4-(phenylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N2O/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/h1-3,6-7,12-13,17,20H,4-5,8-11,14-16,18H2/q+1