4-methylbenzoate; methyl(phenethyl)azanium

Systemtic Name: 4-methylbenzoate; methyl(phenethyl)azanium Openeye Name: 4-methylbenzoate; methyl(phenethyl)ammonium CAS Name: 4-methylbenzoate; methyl(phenethyl)ammonium IUPAC Name: 4-methylbenzoate; methyl(phenethyl)azanium Traditional Name: 4-methylbenzoate; methyl(phenethyl)ammonium Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)[O-].C[NH2+]CCC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[O-].C[NH2+]CCC1=CC=CC=C1

InChI

InChI=1S/C9H13N.C8H8O2/c1-10-8-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)8(9)10/h2-6,10H,7-8H2,1H3;2-5H,1H3,(H,9,10)