(4-methoxyphenyl)carbonyl-(2-oxidanylideneethyl)-phenylmethoxycarbonyl-(pyrrol-1-ylamino)azanium

Systemtic Name: (4-methoxyphenyl)carbonyl-(2-oxidanylideneethyl)-phenylmethoxycarbonyl-(pyrrol-1-ylamino)azanium Openeye Name: benzyloxycarbonyl-(4-methoxybenzoyl)-(2-oxoethyl)-(pyrrol-1-ylamino)ammonium CAS Name: [(4-methoxyphenyl)-oxomethyl]-(2-oxoethyl)-phenylmethoxycarbonyl-(1-pyrrolylamino)ammonium IUPAC Name: (4-methoxybenzoyl)-(2-oxoethyl)-phenylmethoxycarbonyl-(pyrrol-1-ylamino)azanium Traditional Name: carbobenzoxy-(2-ketoethyl)-p-anisoyl-(pyrrol-1-ylamino)ammonium Formula: C22H22N3O5+ MolecularWeight: 408.42718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)[N+](CC=O)(C(=O)OCC2=CC=CC=C2)NN3C=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[N+](CC=O)(C(=O)OCC2=CC=CC=C2)NN3C=CC=C3

InChI

InChI=1S/C22H22N3O5/c1-29-20-11-9-19(10-12-20)21(27)25(15-16-26,23-24-13-5-6-14-24)22(28)30-17-18-7-3-2-4-8-18/h2-14,16,23H,15,17H2,1H3/q+1