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

Systemtic Name: [3-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methylazaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methylammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methylammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methylazaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C23H44N3O3+3 MolecularWeight: 410.61376

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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)C[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H41N3O3/c1-23(2,18-25(3)4)17-24-14-19-9-10-21(28-5)22(13-19)29-16-20(27)15-26-11-7-6-8-12-26/h9-10,13,20,24,27H,6-8,11-12,14-18H2,1-5H3/p+3/t20-/m1/s1