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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3/c1-17(2)7-8-22-14-18-5-6-20(26-4)13-21(18)27-16-19(25)15-24-11-9-23(3)10-12-24/h5-6,13,17,19,22,25H,7-12,14-16H2,1-4H3/p+2/t19-/m1/s1