methyl 2-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+]3CCC4(CC3)OCCO4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+]3CCC4(CC3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c1-26-20(25)18-16(15-5-3-2-4-6-15)14-29-19(18)22-17(24)13-23-9-7-21(8-10-23)27-11-12-28-21/h2-6,14H,7-13H2,1H3,(H,22,24)/p+1