methyl (1S)-8-[(5-acetamidothiophen-2-yl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(5-acetamidothiophen-2-yl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(5-acetamido-2-thienyl)methyl]-4-allyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(5-acetamido-2-thiophenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(5-acetamidothiophen-2-yl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-[(5-acetamido-2-thienyl)methyl]-4-allyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(S1)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-4-9-23-18(25)12-16(19(26)27-3)20(23)7-10-22(11-8-20)13-15-5-6-17(28-15)21-14(2)24/h4-6,16H,1,7-13H2,2-3H3,(H,21,24)/p+1/t16-/m1/s1