methyl (1R)-8-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1R)-8-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1R)-4-allyl-8-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1R)-8-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1R)-8-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1R)-4-allyl-3-keto-8-(4-methoxy-3-methyl-benzyl)-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-5-10-24-20(25)14-18(21(26)28-4)22(24)8-11-23(12-9-22)15-17-6-7-19(27-3)16(2)13-17/h5-7,13,18H,1,8-12,14-15H2,2-4H3/p+1/t18-/m0/s1