2-methyl-1-methylidene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide

Systemtic Name: 2-methyl-1-methylidene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide Openeye Name: 2-methyl-1-methylene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide CAS Name: 2-methyl-1-methylene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide IUPAC Name: 2-methyl-1-methylidene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide Traditional Name: 2-methyl-1-methylene-8,8-bis(3-phenylpropyl)-4-oxa-2-aza-8-azoniaspiro[4.5]decan-3-one iodide Formula: C27H35IN2O2 MolecularWeight: 546.48347

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C)C2(CC[N+](CC2)(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)OC1=O.[I-]

Isomeric SMILES

CN1C(=C)C2(CC[N+](CC2)(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)OC1=O.[I-]

InChI

InChI=1S/C27H35N2O2.HI/c1-23-27(31-26(30)28(23)2)17-21-29(22-18-27,19-9-15-24-11-5-3-6-12-24)20-10-16-25-13-7-4-8-14-25;/h3-8,11-14H,1,9-10,15-22H2,2H3;1H/q+1;/p-1