N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H22N4O3S2/c1-14(19-21-16-5-3-4-6-17(16)27-19)22(2)18-8-7-15(13-20-18)28(24,25)23-9-11-26-12-10-23/h3-8,13-14H,9-12H2,1-2H3/p+1/t14-/m1/s1