1-[3-[(E)-2-[1-(6-azanylhexyl)pyridin-1-ium-4-yl]ethenyl]indol-1-yl]ethanone

Systemtic Name: 1-[3-[(E)-2-[1-(6-azanylhexyl)pyridin-1-ium-4-yl]ethenyl]indol-1-yl]ethanone Openeye Name: 1-[3-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]vinyl]indol-1-yl]ethanone CAS Name: 1-[3-[(E)-2-[1-(6-aminohexyl)-4-pyridin-1-iumyl]ethenyl]-1-indolyl]ethanone IUPAC Name: 1-[3-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]ethenyl]indol-1-yl]ethanone Traditional Name: 1-[3-[(E)-2-[1-(6-aminohexyl)pyridin-1-ium-4-yl]vinyl]indol-1-yl]ethanone Formula: C23H28N3O+ MolecularWeight: 362.48792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=CC=CC=C21)C=CC3=CC=[N+](C=C3)CCCCCCN

Isomeric SMILES

CC(=O)N1C=C(C2=CC=CC=C21)/C=C/C3=CC=[N+](C=C3)CCCCCCN

InChI

InChI=1S/C23H28N3O/c1-19(27)26-18-21(22-8-4-5-9-23(22)26)11-10-20-12-16-25(17-13-20)15-7-3-2-6-14-24/h4-5,8-13,16-18H,2-3,6-7,14-15,24H2,1H3/q+1