methyl 1-[(2S)-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H37N3O4+2 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OCC(C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C22H35N3O4/c1-23-10-12-25(13-11-23)15-18-4-3-5-21(14-18)29-17-20(26)16-24-8-6-19(7-9-24)22(27)28-2/h3-5,14,19-20,26H,6-13,15-17H2,1-2H3/p+2/t20-/m0/s1