methyl (1S)-3-oxidanylidene-8-[(4-propan-2-ylphenyl)methyl]-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-3-oxidanylidene-8-[(4-propan-2-ylphenyl)methyl]-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-8-[(4-isopropylphenyl)methyl]-3-oxo-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-[(4-propan-2-ylphenyl)methyl]-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-8-[(4-propan-2-ylphenyl)methyl]-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-8-(4-isopropylbenzyl)-3-keto-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C12CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)C(=O)OC

InChI

InChI=1S/C23H34N2O3/c1-5-12-25-21(26)15-20(22(27)28-4)23(25)10-13-24(14-11-23)16-18-6-8-19(9-7-18)17(2)3/h6-9,17,20H,5,10-16H2,1-4H3/p+1/t20-/m1/s1