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

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-[(4-phenylmethoxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(4-benzyloxyphenyl)methyl]-4-methyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-[(4-phenylmethoxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-[(4-phenylmethoxyphenyl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(4-benzoxybenzyl)-3-keto-4-methyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H30N2O4/c1-26-23(28)16-22(24(29)30-2)25(26)12-14-27(15-13-25)17-19-8-10-21(11-9-19)31-18-20-6-4-3-5-7-20/h3-11,22H,12-18H2,1-2H3/p+1/t22-/m1/s1