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

Systemtic Name: methyl (1S)-3-oxidanylidene-8-phenethyl-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-3-oxo-8-phenethyl-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-phenethyl-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-8-phenethyl-4-propyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-8-phenethyl-4-propyl-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:

CCCN1C(=O)CC(C12CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCN1C(=O)C[C@@H](C12CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)OC

InChI

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