4-[(E,3E)-3-(1-butyl-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-1-ethyl-quinolin-1-ium

Systemtic Name: 4-[(E,3E)-3-(1-butyl-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-1-ethyl-quinolin-1-ium Openeye Name: 4-[(E,3E)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-1-ethyl-quinolin-1-ium CAS Name: 4-[(E,3E)-3-(1-butyl-3,3-dimethyl-2-indolylidene)prop-1-enyl]-1-ethylquinolin-1-ium IUPAC Name: 4-[(E,3E)-3-(1-butyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-1-ethylquinolin-1-ium Traditional Name: 4-[(E,3E)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-1-ethyl-quinolin-1-ium Formula: C28H33N2+ MolecularWeight: 397.57502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(C1=CC=CC3=CC=[N+](C4=CC=CC=C34)CC)(C)C

Isomeric SMILES

CCCCN\1C2=CC=CC=C2C(/C1=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CC)(C)C

InChI

InChI=1S/C28H33N2/c1-5-7-20-30-26-17-11-9-15-24(26)28(3,4)27(30)18-12-13-22-19-21-29(6-2)25-16-10-8-14-23(22)25/h8-19,21H,5-7,20H2,1-4H3/q+1