dimethyl-(phenylmethyl)azanium; 4-methylbenzoate

Systemtic Name: dimethyl-(phenylmethyl)azanium; 4-methylbenzoate Openeye Name: benzyl(dimethyl)ammonium; 4-methylbenzoate CAS Name: dimethyl-(phenylmethyl)ammonium; 4-methylbenzoate IUPAC Name: benzyl(dimethyl)azanium; 4-methylbenzoate Traditional Name: benzyl(dimethyl)ammonium; 4-methylbenzoate Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[O-].C[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[O-].C[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C9H13N.C8H8O2/c1-10(2)8-9-6-4-3-5-7-9;1-6-2-4-7(5-3-6)8(9)10/h3-7H,8H2,1-2H3;2-5H,1H3,(H,9,10)