[(2S)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl]ammonium Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)[NH3+]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)[NH3+]

InChI

InChI=1S/C17H17N3OS/c1-10-3-8-14-15(9-10)22-17(20-14)12-4-6-13(7-5-12)19-16(21)11(2)18/h3-9,11H,18H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1