[(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium

Systemtic Name: [(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-phenyl-propan-2-yl]-diethyl-azanium Openeye Name: [(1S)-1-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]-2-phenyl-ethyl]-diethyl-ammonium CAS Name: [(2S)-1-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-3-phenylpropan-2-yl]-diethylammonium IUPAC Name: [(2S)-1-[4-(1,3-benzothiazol-2-yl)butanoylamino]-3-phenylpropan-2-yl]-diethylazanium Traditional Name: [(1S)-1-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]-2-phenyl-ethyl]-diethyl-ammonium Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CC1=CC=CC=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+](CC)[C@@H](CC1=CC=CC=C1)CNC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C24H31N3OS/c1-3-27(4-2)20(17-19-11-6-5-7-12-19)18-25-23(28)15-10-16-24-26-21-13-8-9-14-22(21)29-24/h5-9,11-14,20H,3-4,10,15-18H2,1-2H3,(H,25,28)/p+1/t20-/m0/s1