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

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

Isomeric SMILES

CN1C(=O)C[C@@H](C12CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-23-19(26)13-18(20(27)28-2)21(23)7-11-24(12-8-21)15-17-6-4-10-25(17)16-5-3-9-22-14-16/h3-6,9-10,14,18H,7-8,11-13,15H2,1-2H3/p+1/t18-/m1/s1