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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyridin-3-ylethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(3-pyridyl)ethyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(3-pyridinyl)ethyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-(2-pyridin-3-ylethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[2-(3-pyridyl)ethyl]ammonium Formula: C22H33N3O3+2 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H31N3O3/c1-27-22-13-19(15-24-10-8-18-5-4-9-23-14-18)6-7-21(22)28-17-20(26)16-25-11-2-3-12-25/h4-7,9,13-14,20,24,26H,2-3,8,10-12,15-17H2,1H3/p+2/t20-/m1/s1