methyl 4-[(4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-methyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoate Openeye Name: methyl 4-[(4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoate CAS Name: 4-[(4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoate Traditional Name: 4-[(3-keto-4-methyl-4-aza-8-azoniaspiro[4.5]decan-8-yl)methyl]benzoic acid methyl ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC12CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)CCC12CC[NH+](CC2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H24N2O3/c1-19-16(21)7-8-18(19)9-11-20(12-10-18)13-14-3-5-15(6-4-14)17(22)23-2/h3-6H,7-13H2,1-2H3/p+1