(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)methyl-(2-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)methyl-[[(2R)-2-oxolanyl]methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: (3-chloro-4-ethoxy-5-methoxy-benzyl)-(2-pyridylmethyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C21H28ClN2O3+ MolecularWeight: 391.91162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C[NH+](CC2CCCO2)CC3=CC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C[NH+](C[C@H]2CCCO2)CC3=CC=CC=N3)OC

InChI

InChI=1S/C21H27ClN2O3/c1-3-26-21-19(22)11-16(12-20(21)25-2)13-24(15-18-8-6-10-27-18)14-17-7-4-5-9-23-17/h4-5,7,9,11-12,18H,3,6,8,10,13-15H2,1-2H3/p+1/t18-/m1/s1