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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(3-methylphenyl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(m-tolylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(3-methylphenyl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(3-methylbenzyl)ammonium Formula: C24H36N2O3+2 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H34N2O3/c1-19-7-6-8-20(13-19)15-25-16-21-9-10-23(28-2)24(14-21)29-18-22(27)17-26-11-4-3-5-12-26/h6-10,13-14,22,25,27H,3-5,11-12,15-18H2,1-2H3/p+2/t22-/m1/s1