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

Systemtic Name: methyl (1S)-3-oxidanylidene-8-[(4-propan-2-ylphenyl)methyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(4-isopropylphenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-[(4-propan-2-ylphenyl)methyl]-4-prop-2-enyl-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-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(4-isopropylbenzyl)-3-keto-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(C)C1=CC=C(C=C1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC

InChI

InChI=1S/C23H32N2O3/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/h5-9,17,20H,1,10-16H2,2-4H3/p+1/t20-/m1/s1