methyl (1S)-8-[(1,3-diphenylpyrazol-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-diphenylpyrazol-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-diphenylpyrazol-4-yl)methyl]-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-[(1,3-diphenyl-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-diphenylpyrazol-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-diphenylpyrazol-4-yl)methyl]-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C29H33N4O3+ MolecularWeight: 485.59732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)CC=C

InChI

InChI=1S/C29H32N4O3/c1-3-16-32-26(34)19-25(28(35)36-2)29(32)14-17-31(18-15-29)20-23-21-33(24-12-8-5-9-13-24)30-27(23)22-10-6-4-7-11-22/h3-13,21,25H,1,14-20H2,2H3/p+1/t25-/m1/s1