4-[(4-propan-2-ylphenyl)methylazaniumyl]butanoate

Systemtic Name: 4-[(4-propan-2-ylphenyl)methylazaniumyl]butanoate Openeye Name: 4-[(4-isopropylphenyl)methylammonio]butanoate CAS Name: 4-[(4-propan-2-ylphenyl)methylammonio]butanoate IUPAC Name: 4-[(4-propan-2-ylphenyl)methylazaniumyl]butanoate Traditional Name: 4-[(4-isopropylbenzyl)ammonio]butyrate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH2+]CCCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C14H21NO2/c1-11(2)13-7-5-12(6-8-13)10-15-9-3-4-14(16)17/h5-8,11,15H,3-4,9-10H2,1-2H3,(H,16,17)