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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1R)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H26N3OS+ MolecularWeight: 332.48354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H25N3OS/c1-13(18(22)19-14-8-4-3-5-9-14)21(2)12-17-20-15-10-6-7-11-16(15)23-17/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,19,22)/p+1/t13-/m1/s1