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

Systemtic Name: methyl (1S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC3(CC2)C(CC(=O)N3CC=C)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC3(CC2)[C@H](CC(=O)N3CC=C)C(=O)OC)C

InChI

InChI=1S/C19H28N4O3/c1-5-8-23-17(24)11-16(18(25)26-4)19(23)6-9-22(10-7-19)13-15-12-21(3)20-14(15)2/h5,12,16H,1,6-11,13H2,2-4H3/p+1/t16-/m1/s1