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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1R)-2-anilino-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N3OS/c1-13(18(22)19-14-8-4-3-5-9-14)21(2)12-17-20-15-10-6-7-11-16(15)23-17/h3-11,13H,12H2,1-2H3,(H,19,22)/p+1/t13-/m1/s1