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

Systemtic Name: 5-chloranyl-1-phenyl-3-propyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzimidazol-3-ium Openeye Name: 5-chloro-1-phenyl-3-propyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzimidazol-3-ium CAS Name: 5-chloro-1-phenyl-3-propyl-2-[(E,3Z)-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]benzimidazol-3-ium IUPAC Name: 5-chloro-1-phenyl-3-propyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]benzimidazol-3-ium Traditional Name: 5-chloro-1-phenyl-3-propyl-2-[(E,3Z)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]benzimidazol-3-ium Formula: C30H31ClN3+ MolecularWeight: 469.04024

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Descriptors Computed from Structure

Canonical SMILES:

CCC[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

CCC[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/C30H31ClN3/c1-5-20-33-27-21-22(31)18-19-26(27)34(23-12-7-6-8-13-23)29(33)17-11-16-28-30(2,3)24-14-9-10-15-25(24)32(28)4/h6-19,21H,5,20H2,1-4H3/q+1