2-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 2-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-allyl-2-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]vinyl]-1,3-benzothiazol-3-ium bromide CAS Name: 2-[(E)-2-[4-(4-methyl-1-piperazinyl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 2-[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]-3-prop-2-enyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-allyl-2-[(E)-2-[4-(4-methylpiperazino)phenyl]vinyl]-1,3-benzothiazol-3-ium bromide Formula: C23H26BrN3S MolecularWeight: 456.44164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C=CC3=[N+](C4=CC=CC=C4S3)CC=C.[Br-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)/C=C/C3=[N+](C4=CC=CC=C4S3)CC=C.[Br-]

InChI

InChI=1S/C23H26N3S.BrH/c1-3-14-26-21-6-4-5-7-22(21)27-23(26)13-10-19-8-11-20(12-9-19)25-17-15-24(2)16-18-25;/h3-13H,1,14-18H2,2H3;1H/q+1;/p-1