butyl 4-piperazin-4-ium-1-ylbenzoate

Systemtic Name: butyl 4-piperazin-4-ium-1-ylbenzoate Openeye Name: butyl 4-piperazin-4-ium-1-ylbenzoate CAS Name: 4-(1-piperazin-4-iumyl)benzoic acid butyl ester IUPAC Name: butyl 4-piperazin-4-ium-1-ylbenzoate Traditional Name: 4-piperazin-4-ium-1-ylbenzoic acid butyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-2-3-12-19-15(18)13-4-6-14(7-5-13)17-10-8-16-9-11-17/h4-7,16H,2-3,8-12H2,1H3/p+1