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

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-methyl-3-oxo-8-(2-thienylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-methyl-8-(2-thenyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C16H23N2O3S+ MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=CC=CS3)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C16H22N2O3S/c1-17-14(19)10-13(15(20)21-2)16(17)5-7-18(8-6-16)11-12-4-3-9-22-12/h3-4,9,13H,5-8,10-11H2,1-2H3/p+1/t13-/m1/s1