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

Systemtic Name: methyl (1S)-3-oxidanylidene-4-prop-2-enyl-8-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-4-prop-2-enyl-8-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-4-prop-2-enyl-8-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CN3C4=CC=CC=N4)CC=C

InChI

InChI=1S/C23H28N4O3/c1-3-12-27-21(28)16-19(22(29)30-2)23(27)9-14-25(15-10-23)17-18-7-6-13-26(18)20-8-4-5-11-24-20/h3-8,11,13,19H,1,9-10,12,14-17H2,2H3/p+1/t19-/m1/s1