O8-tert-butyl O4-methyl (4R)-2-(phenylmethyl)-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylate

Systemtic Name: O8-tert-butyl O4-methyl (4R)-2-(phenylmethyl)-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylate Openeye Name: O8-tert-butyl O4-methyl (4R)-2-benzyl-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylate CAS Name: (4R)-2-(phenylmethyl)-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylic acid O8-tert-butyl ester O4-methyl ester IUPAC Name: 8-O-tert-butyl 4-O-methyl (4R)-2-benzyl-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylate Traditional Name: (4R)-2-benzyl-8-aza-2-azoniaspiro[4.5]decane-4,8-dicarboxylic acid O8-tert-butyl ester O4-methyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)C[NH+](CC2C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)C[NH+](C[C@@H]2C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O4/c1-21(2,3)28-20(26)24-12-10-22(11-13-24)16-23(15-18(22)19(25)27-4)14-17-8-6-5-7-9-17/h5-9,18H,10-16H2,1-4H3/p+1/t18-/m1/s1