2-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine Openeye Name: 2-[4-[(E)-2-(benzothiophen-3-yl)vinyl]pyridin-1-ium-1-yl]ethanamine CAS Name: 2-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-1-pyridin-1-iumyl]ethanamine IUPAC Name: 2-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]ethanamine Traditional Name: 2-[4-[(E)-2-(benzothiophen-3-yl)vinyl]pyridin-1-ium-1-yl]ethylamine Formula: C17H17N2S+ MolecularWeight: 281.39528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C=CC3=CC=[N+](C=C3)CCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)/C=C/C3=CC=[N+](C=C3)CCN

InChI

InChI=1S/C17H17N2S/c18-9-12-19-10-7-14(8-11-19)5-6-15-13-20-17-4-2-1-3-16(15)17/h1-8,10-11,13H,9,12,18H2/q+1/b6-5+