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

Systemtic Name: butyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]-methylammonium IUPAC Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: butyl-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3/c1-5-6-9-23(3)15-18-7-8-20(26-4)21(14-18)27-17-19(25)16-24-12-10-22(2)11-13-24/h7-8,14,19,25H,5-6,9-13,15-17H2,1-4H3/p+2/t19-/m1/s1