[(2R)-3-[2-methoxy-5-[[(phenylmethyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(phenylmethyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[5-[(benzylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(phenylmethyl)ammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[5-[(benzylazaniumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[5-[(benzylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C22H34N2O3+2 MolecularWeight: 374.51696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CC2=CC=CC=C2)OC)O

InChI

InChI=1S/C22H32N2O3/c1-17(2)24(3)15-20(25)16-27-22-12-19(10-11-21(22)26-4)14-23-13-18-8-6-5-7-9-18/h5-12,17,20,23,25H,13-16H2,1-4H3/p+2/t20-/m1/s1