4-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: 4-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: 4-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-(cyclopropylmethyl)-1-piperazin-4-iumyl]benzoate IUPAC Name: 4-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-(cyclopropylmethyl)piperazin-4-ium-1-yl]benzoate Formula: C15H20N2O2 MolecularWeight: 260.3315

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H20N2O2/c18-15(19)13-3-5-14(6-4-13)17-9-7-16(8-10-17)11-12-1-2-12/h3-6,12H,1-2,7-11H2,(H,18,19)