methyl (1S)-8-[(3-chlorophenyl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-[(3-chlorophenyl)methyl]-4-ethyl-3-oxidanylidene-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(3-chlorophenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(3-chlorophenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(3-chlorophenyl)methyl]-4-ethyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(3-chlorobenzyl)-4-ethyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C19H26ClN2O3+ MolecularWeight: 365.87434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C12CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC(=CC=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H25ClN2O3/c1-3-22-17(23)12-16(18(24)25-2)19(22)7-9-21(10-8-19)13-14-5-4-6-15(20)11-14/h4-6,11,16H,3,7-10,12-13H2,1-2H3/p+1/t16-/m1/s1