4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-2-one Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCNC(=O)C2)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCNC(=O)C2)OC)OC

InChI

InChI=1S/C14H20N2O3/c1-10-6-12(18-2)13(19-3)7-11(10)8-16-5-4-15-14(17)9-16/h6-7H,4-5,8-9H2,1-3H3,(H,15,17)/p+1