1,3-benzothiazol-2-ylmethyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C20H23N3OS/c1-3-12-23(13-19(24)21-16-9-5-4-8-15(16)2)14-20-22-17-10-6-7-11-18(17)25-20/h4-11H,3,12-14H2,1-2H3,(H,21,24)/p+1