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

Systemtic Name: 4-[(1-methylpiperazin-1-ium-1-yl)methyl]benzoic acid Openeye Name: 4-[(1-methylpiperazin-1-ium-1-yl)methyl]benzoic acid CAS Name: 4-[(1-methyl-1-piperazin-1-iumyl)methyl]benzoic acid IUPAC Name: 4-[(1-methylpiperazin-1-ium-1-yl)methyl]benzoic acid Traditional Name: 4-[(1-methylpiperazin-1-ium-1-yl)methyl]benzoic acid Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C[N+]1(CCNCC1)CC2=CC=C(C=C2)C(=O)O

InChI

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