tert-butyl (5S)-4-(phenylmethyl)-9-aza-4-azoniaspiro[4.5]decane-9-carboxylate

Systemtic Name: tert-butyl (5S)-4-(phenylmethyl)-9-aza-4-azoniaspiro[4.5]decane-9-carboxylate Openeye Name: tert-butyl (5S)-4-benzyl-9-aza-4-azoniaspiro[4.5]decane-9-carboxylate CAS Name: (5S)-4-(phenylmethyl)-9-aza-4-azoniaspiro[4.5]decane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-4-benzyl-9-aza-4-azoniaspiro[4.5]decane-9-carboxylate Traditional Name: (5S)-4-benzyl-9-aza-4-azoniaspiro[4.5]decane-9-carboxylic acid tert-butyl ester Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC2(C1)CCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@]2(C1)CCC[NH+]2CC3=CC=CC=C3

InChI

InChI=1S/C20H30N2O2/c1-19(2,3)24-18(23)21-13-7-11-20(16-21)12-8-14-22(20)15-17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1-3H3/p+1/t20-/m0/s1