5-chloranyl-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzimidazol-3-ium

Systemtic Name: 5-chloranyl-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzimidazol-3-ium Openeye Name: 5-chloro-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzimidazol-3-ium CAS Name: 5-chloro-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]benzimidazol-3-ium IUPAC Name: 5-chloro-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzimidazol-3-ium Traditional Name: 5-chloro-3-ethyl-1-phenyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzimidazol-3-ium Formula: C29H29ClN3+ MolecularWeight: 455.01366

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)C=CC=C4C(C5=CC=CC=C5N4C)(C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)Cl)C3=CC=CC=C3)/C=C/C=C\4/C(C5=CC=CC=C5N4C)(C)C

InChI

InChI=1S/C29H29ClN3/c1-5-32-26-20-21(30)18-19-25(26)33(22-12-7-6-8-13-22)28(32)17-11-16-27-29(2,3)23-14-9-10-15-24(23)31(27)4/h6-20H,5H2,1-4H3/q+1