3-[1-(cyclobutylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide

Systemtic Name: 3-[1-(cyclobutylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide Openeye Name: 3-[1-(cyclobutylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide CAS Name: 3-[1-(cyclobutylmethyl)-4-pyridin-1-iumyl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)-1-propanone bromide IUPAC Name: 3-[1-(cyclobutylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxy-1-benzothiophen-2-yl)propan-1-one bromide Traditional Name: 3-[1-(cyclobutylmethyl)pyridin-1-ium-4-yl]-1-(5,6-dimethoxybenzothiophen-2-yl)propan-1-one bromide Formula: C23H26BrNO3S MolecularWeight: 476.42644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4CCC4)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC3=CC=[N+](C=C3)CC4CCC4)OC.[Br-]

InChI

InChI=1S/C23H26NO3S.BrH/c1-26-20-12-18-13-23(28-22(18)14-21(20)27-2)19(25)7-6-16-8-10-24(11-9-16)15-17-4-3-5-17;/h8-14,17H,3-7,15H2,1-2H3;1H/q+1;/p-1