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

Systemtic Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-8-(quinolin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-(2-naphthylmethyl)-3-oxo-8-(4-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-(2-naphthalenylmethyl)-3-oxo-8-(4-quinolinylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxo-8-(quinolin-4-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-(2-naphthylmethyl)-8-(4-quinolylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C31H32N3O3+ MolecularWeight: 494.60408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34)CC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=NC4=CC=CC=C34)CC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H31N3O3/c1-37-30(36)27-19-29(35)34(20-22-10-11-23-6-2-3-7-24(23)18-22)31(27)13-16-33(17-14-31)21-25-12-15-32-28-9-5-4-8-26(25)28/h2-12,15,18,27H,13-14,16-17,19-21H2,1H3/p+1/t27-/m1/s1