[3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylpropyl)azanium

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(2-methylpropyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl-isobutyl-methyl-ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-methyl-(2-methylpropyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl-methyl-(2-methylpropyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]-isobutyl-methyl-ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](C)CC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)OC

Isomeric SMILES

CC(C)C[NH+](C)CC1=CC(=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)O)O)OC

InChI

InChI=1S/C21H36N2O4/c1-16(2)12-22(3)13-17-5-6-20(21(11-17)26-4)27-15-19(25)14-23-9-7-18(24)8-10-23/h5-6,11,16,18-19,24-25H,7-10,12-15H2,1-4H3/p+2/t19-/m0/s1