4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline; tetraphenylboranuide

Systemtic Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline; tetraphenylboranuide Openeye Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline; tetraphenylboranuide CAS Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline; tetraphenylboranuide IUPAC Name: 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline; tetraphenylboranuide Traditional Name: [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-dimethyl-amine; tetraphenylboranuide Formula: C41H39BN2S MolecularWeight: 602.63776

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C24H20B.C17H19N2S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h1-20H;5-11H,1-4H3/q-1;+1