methyl (1S)-4-methyl-3-oxidanylidene-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-methyl-3-oxidanylidene-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-methyl-3-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-methyl-3-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-methyl-3-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-3-keto-4-methyl-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C12CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-24-18(26)12-17(20(27)28-2)21(24)8-10-25(11-9-21)14-16-13-22-23-19(16)15-6-4-3-5-7-15/h3-7,13,17H,8-12,14H2,1-2H3,(H,22,23)/p+1/t17-/m1/s1