methyl 1-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H39N3O5+2 MolecularWeight: 437.57286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH+]3CCC(CC3)C(=O)OC)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+]3CCC(CC3)C(=O)OC)OC)O

InChI

InChI=1S/C23H37N3O5/c1-24-10-12-26(13-11-24)16-20(27)17-31-22-14-18(4-5-21(22)29-2)15-25-8-6-19(7-9-25)23(28)30-3/h4-5,14,19-20,27H,6-13,15-17H2,1-3H3/p+2/t20-/m1/s1