1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-methyl-ammonium Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C20H21N3OS/c1-22(13-19-21-16-9-3-5-11-18(16)25-19)14-20(24)23-12-6-8-15-7-2-4-10-17(15)23/h2-5,7,9-11H,6,8,12-14H2,1H3/p+1