ethyl 3-piperazin-4-ium-1-ylbenzoate

Systemtic Name: ethyl 3-piperazin-4-ium-1-ylbenzoate Openeye Name: ethyl 3-piperazin-4-ium-1-ylbenzoate CAS Name: 3-(1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-piperazin-4-ium-1-ylbenzoate Traditional Name: 3-piperazin-4-ium-1-ylbenzoic acid ethyl ester Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C13H18N2O2/c1-2-17-13(16)11-4-3-5-12(10-11)15-8-6-14-7-9-15/h3-5,10,14H,2,6-9H2,1H3/p+1