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

Systemtic Name: butyl-[[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: butyl-[3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C20H37N3O3+2 MolecularWeight: 367.52608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O3/c1-4-5-8-21-14-17-6-7-19(25-3)20(13-17)26-16-18(24)15-23-11-9-22(2)10-12-23/h6-7,13,18,21,24H,4-5,8-12,14-16H2,1-3H3/p+2/t18-/m1/s1