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

Systemtic Name: methyl (1S)-4-ethyl-3-oxidanylidene-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-ethyl-3-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-ethyl-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-ethyl-3-oxo-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-ethyl-3-keto-8-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C12CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=C(NN=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H28N4O3/c1-3-26-19(27)13-18(21(28)29-2)22(26)9-11-25(12-10-22)15-17-14-23-24-20(17)16-7-5-4-6-8-16/h4-8,14,18H,3,9-13,15H2,1-2H3,(H,23,24)/p+1/t18-/m1/s1