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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=C(C=C(C=C1)OC)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=C(C=C(C=C1)OC)OC[C@@H](CN2CC[NH+](CC2)C)O

InChI

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