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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-methyl-(2-methylallyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-methyl-(2-methylprop-2-enyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-(2-methylallyl)ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3/c1-17(2)13-23(4)14-18-6-7-20(26-5)21(12-18)27-16-19(25)15-24-10-8-22(3)9-11-24/h6-7,12,19,25H,1,8-11,13-16H2,2-5H3/p+2/t19-/m1/s1