6-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

Systemtic Name: 6-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[4-[(E)-2-(benzothiophen-3-yl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[4-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[4-[(E)-2-(benzothiophen-3-yl)vinyl]pyridin-1-ium-1-yl]hexylamine Formula: C21H25N2S+ MolecularWeight: 337.5016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2S/c22-13-5-1-2-6-14-23-15-11-18(12-16-23)9-10-19-17-24-21-8-4-3-7-20(19)21/h3-4,7-12,15-17H,1-2,5-6,13-14,22H2/q+1/b10-9+