phenyl 1-methylidene-3-oxidanylidene-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylate

Systemtic Name: phenyl 1-methylidene-3-oxidanylidene-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylate Openeye Name: phenyl 1-methylene-3-oxo-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylate CAS Name: 1-methylene-3-oxo-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-methylidene-3-oxo-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylate Traditional Name: 3-keto-1-methylene-2-phenyl-4-oxa-8-aza-2-azoniaspiro[4.5]decane-2-carboxylic acid phenyl ester Formula: C21H21N2O4+ MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2(CCNCC2)OC(=O)[N+]1(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C=C1C2(CCNCC2)OC(=O)[N+]1(C3=CC=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N2O4/c1-16-21(12-14-22-15-13-21)27-20(25)23(16,17-8-4-2-5-9-17)19(24)26-18-10-6-3-7-11-18/h2-11,22H,1,12-15H2/q+1