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

Systemtic Name: 3-butyl-2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Openeye Name: 3-butyl-2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium CAS Name: 3-butyl-2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-2-indolylidene)prop-1-enyl]-1,3-benzoxazol-3-ium IUPAC Name: 3-butyl-2-[(E,3Z)-3-(1-butyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Traditional Name: 3-butyl-2-[(E,3Z)-3-(1-butyl-3,3-dimethyl-indolin-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Formula: C28H35N2O+ MolecularWeight: 415.5903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCC)(C)C

Isomeric SMILES

CCCCN\1C2=CC=CC=C2C(/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CCCC)(C)C

InChI

InChI=1S/C28H35N2O/c1-5-7-20-29-23-15-10-9-14-22(23)28(3,4)26(29)18-13-19-27-30(21-8-6-2)24-16-11-12-17-25(24)31-27/h9-19H,5-8,20-21H2,1-4H3/q+1