2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium

Systemtic Name: 2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium Openeye Name: 2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium CAS Name: 2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium IUPAC Name: 2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium Traditional Name: 2-[(E)-(3,5-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-3-methyl-1,3-benzoxazol-3-ium Formula: C18H17N2OS+ MolecularWeight: 309.40538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=CC3=[N+](C4=CC=CC=C4O3)C)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)S/C(=C/C3=[N+](C4=CC=CC=C4O3)C)/N2C

InChI

InChI=1S/C18H17N2OS/c1-12-8-9-16-14(10-12)20(3)18(22-16)11-17-19(2)13-6-4-5-7-15(13)21-17/h4-11H,1-3H3/q+1