methyl (1S)-8-(1-benzofuran-2-ylmethyl)-4-(2-methoxyethyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-(1-benzofuran-2-ylmethyl)-4-(2-methoxyethyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(benzofuran-2-ylmethyl)-4-(2-methoxyethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(2-benzofuranylmethyl)-4-(2-methoxyethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(1-benzofuran-2-ylmethyl)-4-(2-methoxyethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(benzofuran-2-ylmethyl)-3-keto-4-(2-methoxyethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)CC(C12CC[NH+](CC2)CC3=CC4=CC=CC=C4O3)C(=O)OC

Isomeric SMILES

COCCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC4=CC=CC=C4O3)C(=O)OC

InChI

InChI=1S/C22H28N2O5/c1-27-12-11-24-20(25)14-18(21(26)28-2)22(24)7-9-23(10-8-22)15-17-13-16-5-3-4-6-19(16)29-17/h3-6,13,18H,7-12,14-15H2,1-2H3/p+1/t18-/m1/s1