methyl (1S)-3-oxidanylidene-4-prop-2-enyl-8-[(1-pyridin-3-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-3-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-[[1-(3-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-(3-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-3-ylpyrrol-2-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-[[1-(3-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=CN=CC=C4)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=CC=CN3C4=CN=CC=C4)CC=C

InChI

InChI=1S/C23H28N4O3/c1-3-11-27-21(28)15-20(22(29)30-2)23(27)8-13-25(14-9-23)17-19-7-5-12-26(19)18-6-4-10-24-16-18/h3-7,10,12,16,20H,1,8-9,11,13-15,17H2,2H3/p+1/t20-/m1/s1