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

Systemtic Name: methyl 1-[(2S)-3-[4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-3-[4-[(4-acetyl-1-piperazin-1-iumyl)methyl]phenoxy]-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H37N3O5+2 MolecularWeight: 435.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OCC(C[NH+]3CCC(CC3)C(=O)OC)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC[C@H](C[NH+]3CCC(CC3)C(=O)OC)O

InChI

InChI=1S/C23H35N3O5/c1-18(27)26-13-11-25(12-14-26)15-19-3-5-22(6-4-19)31-17-21(28)16-24-9-7-20(8-10-24)23(29)30-2/h3-6,20-21,28H,7-17H2,1-2H3/p+2/t21-/m0/s1