N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline

Systemtic Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline Openeye Name: 4-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline Traditional Name: [4-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]phenyl]-dimethyl-amine Formula: C21H23N2S+ MolecularWeight: 335.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)N(C)C)C2=[N+](C3=CC=CC=C3S2)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2S/c1-5-14-23-19-8-6-7-9-20(19)24-21(23)16(2)15-17-10-12-18(13-11-17)22(3)4/h5-13,15H,1,14H2,2-4H3/q+1