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

Systemtic Name: methyl (1S)-3-oxidanylidene-4-(phenylmethyl)-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-benzyl-3-oxo-8-(2-thienylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-4-(phenylmethyl)-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-benzyl-3-oxo-8-(thiophen-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-benzyl-3-keto-8-(2-thenyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-27-21(26)19-14-20(25)24(15-17-6-3-2-4-7-17)22(19)9-11-23(12-10-22)16-18-8-5-13-28-18/h2-8,13,19H,9-12,14-16H2,1H3/p+1/t19-/m1/s1