1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N3OS/c1-12(17(21)18-13-7-3-4-8-13)20(2)11-16-19-14-9-5-6-10-15(14)22-16/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,18,21)/p+1/t12-/m1/s1