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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-4-24(5-2)21(25)20(16-11-7-6-8-12-16)23(3)15-19-22-17-13-9-10-14-18(17)26-19/h6-14,20H,4-5,15H2,1-3H3/p+1/t20-/m0/s1