ethyl 4-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3(CC2)OCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC3(CC2)OCCO3

InChI

InChI=1S/C18H24N2O5/c1-2-23-17(22)14-3-5-15(6-4-14)19-16(21)13-20-9-7-18(8-10-20)24-11-12-25-18/h3-6H,2,7-13H2,1H3,(H,19,21)/p+1