diethyl-(5-phenoxypentanoyl)-[4-(phenylmethyl)phenoxy]carbonyl-azanium

Systemtic Name: diethyl-(5-phenoxypentanoyl)-[4-(phenylmethyl)phenoxy]carbonyl-azanium Openeye Name: (4-benzylphenoxy)carbonyl-diethyl-(5-phenoxypentanoyl)ammonium CAS Name: diethyl-(1-oxo-5-phenoxypentyl)-[oxo-[4-(phenylmethyl)phenoxy]methyl]ammonium IUPAC Name: (4-benzylphenoxy)carbonyl-diethyl-(5-phenoxypentanoyl)azanium Traditional Name: (4-benzylphenoxy)carbonyl-diethyl-(5-phenoxypentanoyl)ammonium Formula: C29H34NO4+ MolecularWeight: 460.58456

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(C(=O)CCCCOC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[N+](CC)(C(=O)CCCCOC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H34NO4/c1-3-30(4-2,28(31)17-11-12-22-33-26-15-9-6-10-16-26)29(32)34-27-20-18-25(19-21-27)23-24-13-7-5-8-14-24/h5-10,13-16,18-21H,3-4,11-12,17,22-23H2,1-2H3/q+1