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

Systemtic Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxidanylidene-8-(pyridin-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-(2-naphthylmethyl)-3-oxo-8-(2-pyridylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-(2-naphthalenylmethyl)-3-oxo-8-(2-pyridinylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-(naphthalen-2-ylmethyl)-3-oxo-8-(pyridin-2-ylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-(2-naphthylmethyl)-8-(2-pyridylmethyl)-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=CC=CC=N3)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CC=N3)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H29N3O3/c1-33-26(32)24-17-25(31)30(18-20-9-10-21-6-2-3-7-22(21)16-20)27(24)11-14-29(15-12-27)19-23-8-4-5-13-28-23/h2-10,13,16,24H,11-12,14-15,17-19H2,1H3/p+1/t24-/m1/s1