N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide CAS Name: N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxybenzenesulfonamide Traditional Name: N-[[(3S)-1-(1H-benzimidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-4-methoxy-benzenesulfonamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H26N4O3S/c1-28-17-8-10-18(11-9-17)29(26,27)22-13-16-5-4-12-25(14-16)15-21-23-19-6-2-3-7-20(19)24-21/h2-3,6-11,16,22H,4-5,12-15H2,1H3,(H,23,24)/p+1/t16-/m1/s1