butyl-(2-methanoylphenyl)carbonyl-phenylmethoxy-(phenylmethyl)azanium

Systemtic Name: butyl-(2-methanoylphenyl)carbonyl-phenylmethoxy-(phenylmethyl)azanium Openeye Name: benzyl-benzyloxy-butyl-(2-formylbenzoyl)ammonium CAS Name: butyl-[(2-formylphenyl)-oxomethyl]-phenylmethoxy-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-(2-formylbenzoyl)-phenylmethoxyazanium Traditional Name: benzoxy-benzyl-butyl-(2-formylbenzoyl)ammonium Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC1=CC=CC=C1)(C(=O)C2=CC=CC=C2C=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC[N+](CC1=CC=CC=C1)(C(=O)C2=CC=CC=C2C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28NO3/c1-2-3-18-27(19-22-12-6-4-7-13-22,30-21-23-14-8-5-9-15-23)26(29)25-17-11-10-16-24(25)20-28/h4-17,20H,2-3,18-19,21H2,1H3/q+1