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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H20N3OS+ MolecularWeight: 350.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3OS/c1-13(20(24)15-11-21-16-8-4-3-7-14(15)16)23(2)12-19-22-17-9-5-6-10-18(17)25-19/h3-11,13,21H,12H2,1-2H3/p+1/t13-/m1/s1