1-butyl-3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium

Systemtic Name: 1-butyl-3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium Openeye Name: 1-butyl-3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)vinyl]indol-1-ium CAS Name: 1-butyl-3,3-dimethyl-2-[(E)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]indol-1-ium IUPAC Name: 1-butyl-3,3-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium Traditional Name: 1-butyl-3,3-dimethyl-2-[(E)-2-(4-pyrrolidinophenyl)vinyl]indol-1-ium Formula: C26H33N2+ MolecularWeight: 373.55362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C26H33N2/c1-4-5-20-28-24-11-7-6-10-23(24)26(2,3)25(28)17-14-21-12-15-22(16-13-21)27-18-8-9-19-27/h6-7,10-17H,4-5,8-9,18-20H2,1-3H3/q+1