1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3OS/c1-14(20(24)23-12-11-15-7-3-5-9-17(15)23)22(2)13-19-21-16-8-4-6-10-18(16)25-19/h3-10,14H,11-13H2,1-2H3/p+1/t14-/m1/s1