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

Systemtic Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-(2-naphthylmethyl)-3-oxo-8-(2-thienylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-(2-naphthalenylmethyl)-3-oxo-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxo-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-(2-naphthylmethyl)-8-(2-thenyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CS3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CS3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N2O3S/c1-31-25(30)23-16-24(29)28(17-19-8-9-20-5-2-3-6-21(20)15-19)26(23)10-12-27(13-11-26)18-22-7-4-14-32-22/h2-9,14-15,23H,10-13,16-18H2,1H3/p+1/t23-/m1/s1