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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(diphenylmethyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(benzhydrylamino)-1-methyl-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2S)-1-[(diphenylmethyl)amino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: [(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [(1S)-2-(benzhydrylamino)-2-keto-1-methyl-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3OS/c1-18(28(2)17-23-26-21-15-9-10-16-22(21)30-23)25(29)27-24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,24H,17H2,1-2H3,(H,27,29)/p+1/t18-/m0/s1