2-[(E)-2-methoxy-2-(4-methylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-methoxy-2-(4-methylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-methoxy-2-(p-tolyl)vinyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-methoxy-2-(4-methylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-methoxy-2-(4-methylphenyl)ethenyl]-3-prop-2-ynyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-methoxy-2-(p-tolyl)vinyl]-3-propargyl-1,3-benzothiazol-3-ium Formula: C20H18NOS+ MolecularWeight: 320.42802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC2=[N+](C3=CC=CC=C3S2)CC#C)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\C2=[N+](C3=CC=CC=C3S2)CC#C)/OC

InChI

InChI=1S/C20H18NOS/c1-4-13-21-17-7-5-6-8-19(17)23-20(21)14-18(22-3)16-11-9-15(2)10-12-16/h1,5-12,14H,13H2,2-3H3/q+1/b18-14+