[(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C23H24N3OS2+ MolecularWeight: 422.58616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+](C)CC4=CSC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)[NH+](C)CC4=CSC=C4

InChI

InChI=1S/C23H23N3OS2/c1-16(26(2)14-18-11-12-28-15-18)23(27)24-19-9-7-17(8-10-19)13-22-25-20-5-3-4-6-21(20)29-22/h3-12,15-16H,13-14H2,1-2H3,(H,24,27)/p+1/t16-/m1/s1