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

Systemtic Name: methyl (1S)-8-(3-methylsulfanylpropyl)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-(3-methylsulfanylpropyl)-4-(2-naphthylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[3-(methylthio)propyl]-4-(2-naphthalenylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(3-methylsulfanylpropyl)-4-(naphthalen-2-ylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-8-[3-(methylthio)propyl]-4-(2-naphthylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CCCSC)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CCCSC)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H32N2O3S/c1-30-24(29)22-17-23(28)27(18-19-8-9-20-6-3-4-7-21(20)16-19)25(22)10-13-26(14-11-25)12-5-15-31-2/h3-4,6-9,16,22H,5,10-15,17-18H2,1-2H3/p+1/t22-/m1/s1