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

Systemtic Name: 2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-2-indolylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(1-butyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C26H31N2S+ MolecularWeight: 403.60274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4S3)CC)(C)C

Isomeric SMILES

CCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4S3)CC)(C)C

InChI

InChI=1S/C26H31N2S/c1-5-7-19-28-21-14-9-8-13-20(21)26(3,4)24(28)17-12-18-25-27(6-2)22-15-10-11-16-23(22)29-25/h8-18H,5-7,19H2,1-4H3/q+1