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

Systemtic Name: methyl (1S)-8-(1,3-benzodioxol-4-ylmethyl)-3-oxidanylidene-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Openeye Name: methyl (1S)-4-allyl-8-(1,3-benzodioxol-4-ylmethyl)-3-oxo-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate CAS Name: (1S)-8-(1,3-benzodioxol-4-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-8-(1,3-benzodioxol-4-ylmethyl)-3-oxo-4-prop-2-enyl-4-aza-8-azoniaspiro[4.5]decane-1-carboxylate Traditional Name: (1S)-4-allyl-8-(1,3-benzodioxol-4-ylmethyl)-3-keto-4-aza-8-azoniaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=O)N(C12CC[NH+](CC2)CC3=C4C(=CC=C3)OCO4)CC=C

Isomeric SMILES

COC(=O)[C@H]1CC(=O)N(C12CC[NH+](CC2)CC3=C4C(=CC=C3)OCO4)CC=C

InChI

InChI=1S/C21H26N2O5/c1-3-9-23-18(24)12-16(20(25)26-2)21(23)7-10-22(11-8-21)13-15-5-4-6-17-19(15)28-14-27-17/h3-6,16H,1,7-14H2,2H3/p+1/t16-/m1/s1