methyl (1S)-4-ethyl-3-oxidanylidene-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl (1S)-4-ethyl-3-oxidanylidene-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-ethyl-3-oxo-8-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-4-ethyl-3-oxo-8-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-4-ethyl-3-oxo-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-ethyl-3-keto-8-[[1-(3-pyridyl)pyrrol-2-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=CC=CN3C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C22H28N4O3/c1-3-26-20(27)14-19(21(28)29-2)22(26)8-12-24(13-9-22)16-18-7-5-11-25(18)17-6-4-10-23-15-17/h4-7,10-11,15,19H,3,8-9,12-14,16H2,1-2H3/p+1/t19-/m1/s1