1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium

Systemtic Name: 1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Openeye Name: 1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benzo[e]indol-3-ium CAS Name: 1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium IUPAC Name: 1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Traditional Name: 1-but-2-ynyl-1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benz[e]indol-3-ium Formula: C24H22NS+ MolecularWeight: 356.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC=CS4)C

Isomeric SMILES

CC#CCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=CC=CS4)C

InChI

InChI=1S/C24H22NS/c1-4-5-16-24(2)22(15-13-19-10-8-17-26-19)25(3)21-14-12-18-9-6-7-11-20(18)23(21)24/h6-15,17H,16H2,1-3H3/q+1/b15-13+