methyl (1S)-3-oxidanylidene-8-[(3S)-3-phenylbutyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-3-oxidanylidene-8-[(3S)-3-phenylbutyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-[(3S)-3-phenylbutyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-[(3S)-3-phenylbutyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-8-[(3S)-3-phenylbutyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-[(3S)-3-phenylbutyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCC2(CC1)C(CC(=O)N2CC=C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC[NH+]1CCC2(CC1)[C@H](CC(=O)N2CC=C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3/c1-4-13-25-21(26)17-20(22(27)28-3)23(25)11-15-24(16-12-23)14-10-18(2)19-8-6-5-7-9-19/h4-9,18,20H,1,10-17H2,2-3H3/p+1/t18-,20+/m0/s1