1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(indan-5-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(indan-5-ylamino)-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)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(CCC4)C=C3

InChI

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