1,3-benzothiazol-2-ylmethyl-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(2-methoxyethyl)azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(2-methoxyethyl)azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-(2-methoxyethyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dimethylanilino)-2-keto-ethyl]-(2-methoxyethyl)ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+](CCOC)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+](CCOC)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H25N3O2S/c1-15-7-6-9-17(16(15)2)22-20(25)13-24(11-12-26-3)14-21-23-18-8-4-5-10-19(18)27-21/h4-10H,11-14H2,1-3H3,(H,22,25)/p+1