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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(3-methylbutyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-isopentyl-methyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(3-methylbutyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-methyl-(3-methylbutyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-isoamyl-methyl-ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O3/c1-18(2)8-9-24(4)15-19-6-7-21(27-5)22(14-19)28-17-20(26)16-25-12-10-23(3)11-13-25/h6-7,14,18,20,26H,8-13,15-17H2,1-5H3/p+2/t20-/m1/s1