trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium

Systemtic Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium Openeye Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium CAS Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium IUPAC Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]azanium Traditional Name: trimethyl-[3-(2-methyl-5-phenyl-1,3-benzothiazol-3-ium-3-yl)propyl]ammonium Formula: C20H26N2S+2 MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCC[N+](C)(C)C

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)C3=CC=CC=C3)CCC[N+](C)(C)C

InChI

InChI=1S/C20H26N2S/c1-16-21(13-8-14-22(2,3)4)19-15-18(11-12-20(19)23-16)17-9-6-5-7-10-17/h5-7,9-12,15H,8,13-14H2,1-4H3/q+2