methyl 4-[3-[1-methyl-4-(phenylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[1-methyl-4-(phenylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[3-(4-benzoyl-1-methyl-piperazin-1-ium-1-yl)-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-(4-benzoyl-1-methyl-1-piperazin-1-iumyl)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-benzoyl-1-methylpiperazin-1-ium-1-yl)-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-(4-benzoyl-1-methyl-piperazin-1-ium-1-yl)-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C23H29N2O5/c1-25(14-12-24(13-15-25)22(27)18-6-4-3-5-7-18)16-20(26)17-30-21-10-8-19(9-11-21)23(28)29-2/h3-11,20,26H,12-17H2,1-2H3/q+1