(phenylmethyl) 1-(3-azanyl-3-benzamido-4-ethoxy-4-oxidanylidene-butanoyl)piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-azanyl-3-benzamido-4-ethoxy-4-oxidanylidene-butanoyl)piperidin-1-ium-1-carboxylate Openeye Name: benzyl 1-(3-amino-3-benzamido-4-ethoxy-4-oxo-butanoyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(3-amino-3-benzamido-4-ethoxy-1,4-dioxobutyl)-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-amino-3-benzamido-4-ethoxy-4-oxobutanoyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(3-amino-3-benzamido-4-ethoxy-4-keto-butanoyl)piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C26H32N3O6+ MolecularWeight: 482.54878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)[N+]1(CCCCC1)C(=O)OCC2=CC=CC=C2)(N)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC(=O)[N+]1(CCCCC1)C(=O)OCC2=CC=CC=C2)(N)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O6/c1-2-34-24(32)26(27,28-23(31)21-14-8-4-9-15-21)18-22(30)29(16-10-5-11-17-29)25(33)35-19-20-12-6-3-7-13-20/h3-4,6-9,12-15H,2,5,10-11,16-19,27H2,1H3/p+1