methyl (1S)-8-(2-methylpropyl)-3-oxidanylidene-4-(phenylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-8-(2-methylpropyl)-3-oxidanylidene-4-(phenylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-benzyl-8-isobutyl-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(2-methylpropyl)-3-oxo-4-(phenylmethyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-benzyl-8-(2-methylpropyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-benzyl-8-isobutyl-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC2(CC1)C(CC(=O)N2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C[NH+]1CCC2(CC1)[C@H](CC(=O)N2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H30N2O3/c1-16(2)14-22-11-9-21(10-12-22)18(20(25)26-3)13-19(24)23(21)15-17-7-5-4-6-8-17/h4-8,16,18H,9-15H2,1-3H3/p+1/t18-/m1/s1