4-[(1-methylpiperazin-2-yl)methyl]benzoic acid

Systemtic Name: 4-[(1-methylpiperazin-2-yl)methyl]benzoic acid Openeye Name: 4-[(1-methylpiperazin-2-yl)methyl]benzoic acid CAS Name: 4-[(1-methyl-2-piperazinyl)methyl]benzoic acid IUPAC Name: 4-[(1-methylpiperazin-2-yl)methyl]benzoic acid Traditional Name: 4-[(1-methylpiperazin-2-yl)methyl]benzoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCNCC1CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H18N2O2/c1-15-7-6-14-9-12(15)8-10-2-4-11(5-3-10)13(16)17/h2-5,12,14H,6-9H2,1H3,(H,16,17)