[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[2-(2-naphthyl)ethyl]ammonium Formula: C27H36N2O3+2 MolecularWeight: 436.58634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC3=CC=CC=C3C=C2)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC3=CC=CC=C3C=C2)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C27H34N2O3/c1-31-27-17-22(9-11-26(27)32-20-25(30)19-29-14-4-5-15-29)18-28-13-12-21-8-10-23-6-2-3-7-24(23)16-21/h2-3,6-11,16-17,25,28,30H,4-5,12-15,18-20H2,1H3/p+2/t25-/m1/s1