3-chloranylbenzoic acid; 1-methyl-1-oxidanidyl-piperazin-1-ium

Systemtic Name: 3-chloranylbenzoic acid; 1-methyl-1-oxidanidyl-piperazin-1-ium Openeye Name: 3-chlorobenzoic acid; 1-methyl-1-oxido-piperazin-1-ium CAS Name: 3-chlorobenzoic acid; 1-methyl-1-oxidopiperazin-1-ium IUPAC Name: 3-chlorobenzoic acid; 1-methyl-1-oxidopiperazin-1-ium Traditional Name: 3-chlorobenzoic acid; 1-methyl-1-oxido-piperazin-1-ium Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)[O-].C1=CC(=CC(=C1)Cl)C(=O)O

Isomeric SMILES

C[N+]1(CCNCC1)[O-].C1=CC(=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C7H5ClO2.C5H12N2O/c8-6-3-1-2-5(4-6)7(9)10;1-7(8)4-2-6-3-5-7/h1-4H,(H,9,10);6H,2-5H2,1H3