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

Systemtic Name: methyl 1-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H41N3O5+2 MolecularWeight: 451.59944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O5/c1-4-25-11-13-27(14-12-25)17-21(28)18-32-22-6-5-19(15-23(22)30-2)16-26-9-7-20(8-10-26)24(29)31-3/h5-6,15,20-21,28H,4,7-14,16-18H2,1-3H3/p+2/t21-/m0/s1