N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]methanesulfonamide

Systemtic Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]methanesulfonamide Openeye Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]methanesulfonamide CAS Name: N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]methanesulfonamide IUPAC Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]methanesulfonamide Traditional Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]methanesulfonamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCCOC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)NCCCOC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H28N4O3S/c1-28(25,26)22-11-4-16-27-19-8-6-18(7-9-19)17-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10,22H,4,11-17H2,1H3/p+1