3-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one

Systemtic Name: 3-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-yl-propan-1-one Openeye Name: 3-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one CAS Name: 3-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-piperidin-1-iumyl]-1-(4-morpholinyl)-1-propanone IUPAC Name: 3-[1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-1-ium-4-yl]-1-morpholin-4-ylpropan-1-one Traditional Name: 3-[1-[4-methoxy-3-(methoxymethyl)benzyl]piperidin-1-ium-4-yl]-1-morpholino-propan-1-one Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)OC

Isomeric SMILES

COCC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)N3CCOCC3)OC

InChI

InChI=1S/C22H34N2O4/c1-26-17-20-15-19(3-5-21(20)27-2)16-23-9-7-18(8-10-23)4-6-22(25)24-11-13-28-14-12-24/h3,5,15,18H,4,6-14,16-17H2,1-2H3/p+1