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

Systemtic Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]ethanesulfonamide Openeye Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]ethanesulfonamide CAS Name: N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]ethanesulfonamide IUPAC Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]ethanesulfonamide Traditional Name: N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]ethanesulfonamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-2-29(26,27)23-12-5-17-28-20-9-7-19(8-10-20)18-24-13-15-25(16-14-24)21-6-3-4-11-22-21/h3-4,6-11,23H,2,5,12-18H2,1H3/p+1