(2,4-dimethoxyphenyl)methoxycarbonyl-oxidanylidene-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azanium

Systemtic Name: (2,4-dimethoxyphenyl)methoxycarbonyl-oxidanylidene-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azanium Openeye Name: (2,4-dimethoxyphenyl)methoxycarbonyl-oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonium CAS Name: [(2,4-dimethoxyphenyl)methoxy-oxomethyl]-oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonium IUPAC Name: (2,4-dimethoxyphenyl)methoxycarbonyl-oxo-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)azanium Traditional Name: (2,4-dimethoxybenzyl)oxycarbonyl-keto-(6-phenyl-2,3,4,7-tetrahydro-1H-azepin-3-yl)ammonium Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)COC(=O)[N+](=O)C2CC=C(CNC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)COC(=O)[N+](=O)C2CC=C(CNC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N2O5/c1-27-20-11-9-18(21(12-20)28-2)15-29-22(25)24(26)19-10-8-17(13-23-14-19)16-6-4-3-5-7-16/h3-9,11-12,19,23H,10,13-15H2,1-2H3/q+1