3,5-dimethyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,2-oxazole-4-sulfonamide Openeye Name: 3,5-dimethyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]isoxazole-4-sulfonamide CAS Name: 3,5-dimethyl-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]-4-isoxazolesulfonamide IUPAC Name: 3,5-dimethyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,2-oxazole-4-sulfonamide Traditional Name: 3,5-dimethyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]isoxazole-4-sulfonamide Formula: C24H32N5O4S+ MolecularWeight: 486.60698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H31N5O4S/c1-19-24(20(2)33-27-19)34(30,31)26-12-5-17-32-22-9-7-21(8-10-22)18-28-13-15-29(16-14-28)23-6-3-4-11-25-23/h3-4,6-11,26H,5,12-18H2,1-2H3/p+1