1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl]-methyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-16(2)13-19(17-9-5-4-6-10-17)23-21(26)14-25(3)15-22-24-18-11-7-8-12-20(18)27-22/h4-12,16,19H,13-15H2,1-3H3,(H,23,26)/p+1/t19-/m1/s1