3-ethoxypropyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 3-ethoxypropyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-ethoxypropyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-ethoxypropyl-[[4-[(2R)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-ethoxypropyl-[[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-ethoxypropyl-[4-[(2R)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H41N3O4+2 MolecularWeight: 411.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]CCCOCC)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](COC2=C(C=C(C=C2)C[NH2+]CCCOCC)OC)O

InChI

InChI=1S/C22H39N3O4/c1-4-24-10-12-25(13-11-24)17-20(26)18-29-21-8-7-19(15-22(21)27-3)16-23-9-6-14-28-5-2/h7-8,15,20,23,26H,4-6,9-14,16-18H2,1-3H3/p+2/t20-/m1/s1