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

Systemtic Name: methyl (1S)-3-oxidanylidene-4-prop-2-enyl-8-(quinolin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-(4-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-4-prop-2-enyl-8-(4-quinolinylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-4-prop-2-enyl-8-(quinolin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-(4-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34)CC=C

InChI

InChI=1S/C23H27N3O3/c1-3-12-26-21(27)15-19(22(28)29-2)23(26)9-13-25(14-10-23)16-17-8-11-24-20-7-5-4-6-18(17)20/h3-8,11,19H,1,9-10,12-16H2,2H3/p+1/t19-/m1/s1