methyl 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylate

Systemtic Name: methyl 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylate Openeye Name: methyl 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylate CAS Name: 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylate Traditional Name: 2-(4-isocyanophenyl)-4-oxa-8-aza-2-azoniaspiro[4.5]dec-2-ene-8-carboxylic acid methyl ester Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2(CC1)C[N+](=CO2)C3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

COC(=O)N1CCC2(CC1)C[N+](=CO2)C3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C16H18N3O3/c1-17-13-3-5-14(6-4-13)19-11-16(22-12-19)7-9-18(10-8-16)15(20)21-2/h3-6,12H,7-11H2,2H3/q+1