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

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl)-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (3-hydroxy-2,2-dimethyl-propyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (3-hydroxy-2,2-dimethylpropyl)-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (3-hydroxy-2,2-dimethylpropyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (3-hydroxy-2,2-dimethyl-propyl)-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CO

Isomeric SMILES

CC(C)(C[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O)CO

InChI

InChI=1S/C21H36N2O4/c1-21(2,16-24)15-22-12-17-7-8-19(26-3)20(11-17)27-14-18(25)13-23-9-5-4-6-10-23/h7-8,11,18,22,24-25H,4-6,9-10,12-16H2,1-3H3/p+2/t18-/m1/s1