[1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]-(4-methylpiperazino)methanone Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C20H31N3O4/c1-21-8-10-23(11-9-21)20(25)16-4-6-22(7-5-16)14-15-12-17(26-2)19(24)18(13-15)27-3/h12-13,16,24H,4-11,14H2,1-3H3/p+1