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

Systemtic Name: 3-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Openeye Name: 3-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide CAS Name: 3-methyl-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide Traditional Name: 3-methyl-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]thiophene-2-carboxamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(SC=C1)C(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H30N4O2S/c1-20-10-18-32-24(20)25(30)27-12-4-17-31-22-8-6-21(7-9-22)19-28-13-15-29(16-14-28)23-5-2-3-11-26-23/h2-3,5-11,18H,4,12-17,19H2,1H3,(H,27,30)/p+1