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

Systemtic Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline bromide Openeye Name: 4-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]-N,N-dimethyl-aniline bromide CAS Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline bromide IUPAC Name: N,N-dimethyl-4-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]aniline bromide Traditional Name: [4-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)prop-1-enyl]phenyl]-dimethyl-amine bromide Formula: C21H23BrN2S MolecularWeight: 415.38972

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2S.BrH/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;1H/q+1;/p-1