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

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(2,5-dimethoxybenzyl)piperazin-4-ium-2-one Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCNC(=O)C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H18N2O3/c1-17-11-3-4-12(18-2)10(7-11)8-15-6-5-14-13(16)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,16)/p+1