4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-1-methyl-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: 4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-1-methyl-1-(phenylmethyl)piperidin-1-ium Openeye Name: 1-benzyl-4-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-1-methyl-piperidin-1-ium CAS Name: 4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-1-methyl-1-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-benzyl-4-[(5,6-dimethoxy-1-benzothiophen-2-yl)methyl]-1-methylpiperidin-1-ium Traditional Name: 1-benzyl-4-[(5,6-dimethoxybenzothiophen-2-yl)methyl]-1-methyl-piperidin-1-ium Formula: C24H30NO2S+ MolecularWeight: 396.5655

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)CC2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)CC2=CC3=CC(=C(C=C3S2)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C24H30NO2S/c1-25(17-19-7-5-4-6-8-19)11-9-18(10-12-25)13-21-14-20-15-22(26-2)23(27-3)16-24(20)28-21/h4-8,14-16,18H,9-13,17H2,1-3H3/q+1