4-[[[3-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-(p-tolylmethoxy)phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-[(4-methylphenyl)methoxy]phenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-(4-methylbenzyl)oxybenzyl]ammonio]methyl]benzoate Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C23H23NO3/c1-17-5-7-19(8-6-17)16-27-22-4-2-3-20(13-22)15-24-14-18-9-11-21(12-10-18)23(25)26/h2-13,24H,14-16H2,1H3,(H,25,26)