carboxymethyl-cyclohexyl-(3-methoxypropyl)-[1-oxidanyl-1,3-bis(oxidanylidene)-4-phenyl-butan-2-yl]azanium

Systemtic Name: carboxymethyl-cyclohexyl-(3-methoxypropyl)-[1-oxidanyl-1,3-bis(oxidanylidene)-4-phenyl-butan-2-yl]azanium Openeye Name: carboxymethyl-(1-carboxy-2-oxo-3-phenyl-propyl)-cyclohexyl-(3-methoxypropyl)ammonium CAS Name: carboxymethyl-cyclohexyl-(1-hydroxy-1,3-dioxo-4-phenylbutan-2-yl)-(3-methoxypropyl)ammonium IUPAC Name: carboxymethyl-cyclohexyl-(1-hydroxy-1,3-dioxo-4-phenylbutan-2-yl)-(3-methoxypropyl)azanium Traditional Name: (1-carboxy-2-keto-3-phenyl-propyl)-(carboxymethyl)-cyclohexyl-(3-methoxypropyl)ammonium Formula: C22H32NO6+ MolecularWeight: 406.49258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC[N+](CC(=O)O)(C1CCCCC1)C(C(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COCCC[N+](CC(=O)O)(C1CCCCC1)C(C(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H31NO6/c1-29-14-8-13-23(16-20(25)26,18-11-6-3-7-12-18)21(22(27)28)19(24)15-17-9-4-2-5-10-17/h2,4-5,9-10,18,21H,3,6-8,11-16H2,1H3,(H-,25,26,27,28)/p+1