3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C21H31N2O5+ MolecularWeight: 391.48124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)CCC(=O)N4CCOCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)CCC(=O)N4CCOCC4

InChI

InChI=1S/C21H30N2O5/c1-25-18-12-17(13-19-21(18)28-15-27-19)14-22-6-4-16(5-7-22)2-3-20(24)23-8-10-26-11-9-23/h12-13,16H,2-11,14-15H2,1H3/p+1