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

Systemtic Name: ethyl 4-piperazin-4-ium-1-ylbenzoate Openeye Name: ethyl 4-piperazin-4-ium-1-ylbenzoate CAS Name: 4-(1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-piperazin-4-ium-1-ylbenzoate Traditional Name: 4-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=C(C=C1)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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