3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethyl-indol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethyl-indol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethyl-indolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-butyl-2-[(E,3E)-3-(1-butyl-3,3,5-trimethyl-indolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C29H37N2S+ MolecularWeight: 445.68248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)C(C1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCC)(C)C

Isomeric SMILES

CCCCN\1C2=C(C=C(C=C2)C)C(/C1=C\C=C\C3=[N+](C4=CC=CC=C4S3)CCCC)(C)C

InChI

InChI=1S/C29H37N2S/c1-6-8-19-30-24-18-17-22(3)21-23(24)29(4,5)27(30)15-12-16-28-31(20-9-7-2)25-13-10-11-14-26(25)32-28/h10-18,21H,6-9,19-20H2,1-5H3/q+1