3-[(E)-2-[1-(2-azanylethyl)pyridin-1-ium-2-yl]ethenyl]-1-benzothiophene-7-carbaldehyde

Systemtic Name: 3-[(E)-2-[1-(2-azanylethyl)pyridin-1-ium-2-yl]ethenyl]-1-benzothiophene-7-carbaldehyde Openeye Name: 3-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-2-yl]vinyl]benzothiophene-7-carbaldehyde CAS Name: 3-[(E)-2-[1-(2-aminoethyl)-2-pyridin-1-iumyl]ethenyl]-1-benzothiophene-7-carboxaldehyde IUPAC Name: 3-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-2-yl]ethenyl]-1-benzothiophene-7-carbaldehyde Traditional Name: 3-[(E)-2-[1-(2-aminoethyl)pyridin-1-ium-2-yl]vinyl]benzothiophene-7-carbaldehyde Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C=CC2=CSC3=C2C=CC=C3C=O)CCN

Isomeric SMILES

C1=CC=[N+](C(=C1)/C=C/C2=CSC3=C2C=CC=C3C=O)CCN

InChI

InChI=1S/C18H17N2OS/c19-9-11-20-10-2-1-5-16(20)8-7-15-13-22-18-14(12-21)4-3-6-17(15)18/h1-8,10,12-13H,9,11,19H2/q+1/b8-7+