2-methoxyethyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-propan-2-yl-azanium

Systemtic Name: 2-methoxyethyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-propan-2-yl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-isopropyl-(2-methoxyethyl)ammonium Formula: C22H41N3O4+2 MolecularWeight: 411.57864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC)CC1=CC(=C(C=C1)OC)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)[NH+](CCOC)CC1=CC(=C(C=C1)OC)OC[C@@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C22H39N3O4/c1-18(2)25(12-13-27-4)15-19-6-7-21(28-5)22(14-19)29-17-20(26)16-24-10-8-23(3)9-11-24/h6-7,14,18,20,26H,8-13,15-17H2,1-5H3/p+2/t20-/m1/s1