4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methyl-quinolin-1-ium-2-yl]ethenyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methyl-quinolin-1-ium-2-yl]ethenyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methyl-quinolin-1-ium-2-yl]vinyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methyl-2-quinolin-1-iumyl]ethenyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methylquinolin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline Traditional Name: [4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-methyl-quinolin-1-ium-2-yl]vinyl]phenyl]-dimethyl-amine Formula: C27H24N3S+ MolecularWeight: 422.56456

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4S3)C=CC5=CC=C(C=C5)N(C)C

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4S3)/C=C/C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C27H24N3S/c1-29(2)20-15-12-19(13-16-20)14-17-21-18-23(22-8-4-6-10-25(22)30(21)3)27-28-24-9-5-7-11-26(24)31-27/h4-18H,1-3H3/q+1