1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-15(16-9-5-4-6-10-16)23(3)20(24)14-22(2)13-19-21-17-11-7-8-12-18(17)25-19/h4-12,15H,13-14H2,1-3H3/p+1/t15-/m0/s1