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

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methoxy-2-methyl-propyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(2-methoxy-2-methyl-propyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-(2-methoxy-2-methyl-propyl)ammonium Formula: C21H39N3O4+2 MolecularWeight: 397.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O4/c1-21(2,27-5)16-22-13-17-6-7-19(26-4)20(12-17)28-15-18(25)14-24-10-8-23(3)9-11-24/h6-7,12,18,22,25H,8-11,13-16H2,1-5H3/p+2/t18-/m1/s1