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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]-methyl-ammonium Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3OS/c1-13-20(15-8-4-5-9-16(15)22-13)21(25)14(2)24(3)12-19-23-17-10-6-7-11-18(17)26-19/h4-11,14,22H,12H2,1-3H3/p+1/t14-/m0/s1