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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-hydroxy-2-prop-2-enylpent-4-enyl)azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N3O4/c1-5-9-24(29,10-6-2)19-25-16-20-7-8-22(30-4)23(15-20)31-18-21(28)17-27-13-11-26(3)12-14-27/h5-8,15,21,25,28-29H,1-2,9-14,16-19H2,3-4H3/p+2/t21-/m1/s1