4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4-tert-butylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-tert-butylbenzyl)piperazin-4-ium-2-one Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCNC(=O)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H22N2O/c1-15(2,3)13-6-4-12(5-7-13)10-17-9-8-16-14(18)11-17/h4-7H,8-11H2,1-3H3,(H,16,18)/p+1