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

Systemtic Name: methyl (1R)-8-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1R)-4-allyl-8-[(3-ethoxy-4-methoxy-phenyl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1R)-8-[(3-ethoxy-4-methoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1R)-8-[(3-ethoxy-4-methoxyphenyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1R)-4-allyl-8-(3-ethoxy-4-methoxy-benzyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H33N2O5+ MolecularWeight: 417.51852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC3(CC2)[C@@H](CC(=O)N3CC=C)C(=O)OC)OC

InChI

InChI=1S/C23H32N2O5/c1-5-11-25-21(26)15-18(22(27)29-4)23(25)9-12-24(13-10-23)16-17-7-8-19(28-3)20(14-17)30-6-2/h5,7-8,14,18H,1,6,9-13,15-16H2,2-4H3/p+1/t18-/m0/s1