N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H26ClN2O4+ MolecularWeight: 417.90584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCC4

InChI

InChI=1S/C22H25ClN2O4/c1-27-19-12-15(13-20-21(19)29-11-10-28-20)22(26)24-14-18(25-8-4-5-9-25)16-6-2-3-7-17(16)23/h2-3,6-7,12-13,18H,4-5,8-11,14H2,1H3,(H,24,26)/p+1/t18-/m0/s1