3-[4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethyl-propan-1-amine

Systemtic Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethyl-propan-1-amine Openeye Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)vinyl]pyridin-1-ium-1-yl]-N,N-diethyl-propan-1-amine CAS Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1-pyridin-1-iumyl]-N,N-diethyl-1-propanamine IUPAC Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]pyridin-1-ium-1-yl]-N,N-diethylpropan-1-amine Traditional Name: 3-[4-[(E)-2-(1H-benzimidazol-2-yl)vinyl]pyridin-1-ium-1-yl]propyl-diethyl-amine Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC[N+]1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCN(CC)CCC[N+]1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4/c1-3-24(4-2)14-7-15-25-16-12-18(13-17-25)10-11-21-22-19-8-5-6-9-20(19)23-21/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3/p+1