5-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H26N2O4/c1-26-19-12-18(13-20-21(19)28-11-10-27-20)22(25)23-14-16-4-6-17(7-5-16)15-24-8-2-3-9-24/h4-7,12-13H,2-3,8-11,14-15H2,1H3,(H,23,25)/p+1