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

Systemtic Name: 6-[2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Openeye Name: 6-[2-[(E)-2-(benzothiophen-3-yl)vinyl]pyridin-1-ium-1-yl]hexan-1-amine CAS Name: 6-[2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]-1-pyridin-1-iumyl]-1-hexanamine IUPAC Name: 6-[2-[(E)-2-(1-benzothiophen-3-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine Traditional Name: 6-[2-[(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=CC=[N+]3CCCCCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)/C=C/C3=CC=CC=[N+]3CCCCCCN

InChI

InChI=1S/C21H25N2S/c22-14-6-1-2-7-15-23-16-8-5-9-19(23)13-12-18-17-24-21-11-4-3-10-20(18)21/h3-5,8-13,16-17H,1-2,6-7,14-15,22H2/q+1/b13-12+