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

Systemtic Name: methyl (1S)-8-[(3-methylphenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-(m-tolylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(3-methylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(3-methylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-(3-methylbenzyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC

InChI

InChI=1S/C21H28N2O3/c1-4-10-23-19(24)14-18(20(25)26-3)21(23)8-11-22(12-9-21)15-17-7-5-6-16(2)13-17/h4-7,13,18H,1,8-12,14-15H2,2-3H3/p+1/t18-/m1/s1