5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-indole

Systemtic Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-indole Openeye Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-1H-indole CAS Name: 5-[(E)-2-(1-butyl-4-pyridin-1-iumyl)ethenyl]-1H-indole IUPAC Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-1H-indole Traditional Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-1H-indole Formula: C19H21N2+ MolecularWeight: 277.38344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C=CC2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C19H20N2/c1-2-3-12-21-13-9-16(10-14-21)4-5-17-6-7-19-18(15-17)8-11-20-19/h4-11,13-15H,2-3,12H2,1H3/p+1