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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl]-methyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O2S/c1-14(20(24)21-12-15-8-4-6-10-17(15)25-3)23(2)13-19-22-16-9-5-7-11-18(16)26-19/h4-11,14H,12-13H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1