carboxymethyl-(diphenylmethyl)-ethyl-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium

Systemtic Name: carboxymethyl-(diphenylmethyl)-ethyl-(1-oxidanyl-1-oxidanylidene-butan-2-yl)azanium Openeye Name: benzhydryl-(carboxymethyl)-(1-carboxypropyl)-ethyl-ammonium CAS Name: carboxymethyl-(diphenylmethyl)-ethyl-(1-hydroxy-1-oxobutan-2-yl)ammonium IUPAC Name: benzhydryl-(carboxymethyl)-ethyl-(1-hydroxy-1-oxobutan-2-yl)azanium Traditional Name: benzhydryl-(carboxymethyl)-(1-carboxypropyl)-ethyl-ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+](CC)(CC(=O)O)C(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)O)[N+](CC)(CC(=O)O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-3-18(21(25)26)22(4-2,15-19(23)24)20(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18,20H,3-4,15H2,1-2H3,(H-,23,24,25,26)/p+1