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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C20H23FN3OS+ MolecularWeight: 372.479523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22FN3OS/c1-14(20(25)24(3)12-15-7-6-8-16(21)11-15)23(2)13-19-22-17-9-4-5-10-18(17)26-19/h4-11,14H,12-13H2,1-3H3/p+1/t14-/m0/s1