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

Systemtic Name: 3-(2-methoxyphenyl)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]propanamide Openeye Name: 3-(2-methoxyphenyl)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]propanamide CAS Name: 3-(2-methoxyphenyl)-N-[3-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]propyl]propanamide IUPAC Name: 3-(2-methoxyphenyl)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]propanamide Traditional Name: 3-(2-methoxyphenyl)-N-[3-[4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenoxy]propyl]propionamide Formula: C29H37N4O3+ MolecularWeight: 489.62908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NCCCOC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C29H36N4O3/c1-35-27-8-3-2-7-25(27)12-15-29(34)31-17-6-22-36-26-13-10-24(11-14-26)23-32-18-20-33(21-19-32)28-9-4-5-16-30-28/h2-5,7-11,13-14,16H,6,12,15,17-23H2,1H3,(H,31,34)/p+1