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

Systemtic Name: methyl (1S)-3-oxidanylidene-8-[(4-oxidanylidenechromen-3-yl)methyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-3-oxo-8-[(4-oxochromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-3-oxo-8-[(4-oxo-1-benzopyran-3-yl)methyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-3-oxo-8-[(4-oxochromen-3-yl)methyl]-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-3-keto-8-[(4-ketochromen-3-yl)methyl]-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)CC=C

InChI

InChI=1S/C23H26N2O5/c1-3-10-25-20(26)13-18(22(28)29-2)23(25)8-11-24(12-9-23)14-16-15-30-19-7-5-4-6-17(19)21(16)27/h3-7,15,18H,1,8-14H2,2H3/p+1/t18-/m1/s1