1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C18H29N2O4+ MolecularWeight: 337.43386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C18H28N2O4/c1-13(2)9-17(21)20-7-5-19(6-8-20)12-14-10-15(23-3)18(22)16(11-14)24-4/h10-11,13,22H,5-9,12H2,1-4H3/p+1