methyl (1S)-3-oxidanylidene-4-(phenylmethyl)-8-(quinolin-5-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-3-oxidanylidene-4-(phenylmethyl)-8-(quinolin-5-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-benzyl-3-oxo-8-(5-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-4-(phenylmethyl)-8-(5-quinolinylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-benzyl-3-oxo-8-(quinolin-5-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-benzyl-3-keto-8-(5-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=C4C=CC=NC4=CC=C3)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=C4C=CC=NC4=CC=C3)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O3/c1-33-26(32)23-17-25(31)30(18-20-7-3-2-4-8-20)27(23)12-15-29(16-13-27)19-21-9-5-11-24-22(21)10-6-14-28-24/h2-11,14,23H,12-13,15-19H2,1H3/p+1/t23-/m1/s1