2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dipentyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dipentyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dipentyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dipentyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3,4-dipentyl-1,3-benzoxazol-3-ium Traditional Name: 3,4-diamyl-2-[(E,3Z)-3-(3H-1,3-benzoxazol-2-ylidene)prop-1-enyl]-1,3-benzoxazol-3-ium Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCC)C=CC=C3NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCC1=C2C(=CC=C1)OC(=[N+]2CCCCC)/C=C/C=C\3/NC4=CC=CC=C4O3

InChI

InChI=1S/C27H32N2O2/c1-3-5-7-13-21-14-11-17-24-27(21)29(20-10-6-4-2)26(31-24)19-12-18-25-28-22-15-8-9-16-23(22)30-25/h8-9,11-12,14-19H,3-7,10,13,20H2,1-2H3/p+1