1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl]-methyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S/c1-15-6-5-7-16(12-15)25-11-10-21-19(24)13-23(2)14-20-22-17-8-3-4-9-18(17)26-20/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,24)/p+1