N-(2,6-dimethylphenyl)-9,9-dimethyl-3-methylsulfanyl-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-amine iodide

Systemtic Name: N-(2,6-dimethylphenyl)-9,9-dimethyl-3-methylsulfanyl-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-amine iodide Openeye Name: N-(2,6-dimethylphenyl)-9,9-dimethyl-3-methylsulfanyl-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-amine iodide CAS Name: N-(2,6-dimethylphenyl)-9,9-dimethyl-3-(methylthio)-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-amine iodide IUPAC Name: N-(2,6-dimethylphenyl)-9,9-dimethyl-3-methylsulfanyl-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-amine iodide Traditional Name: [9,9-dimethyl-3-(methylthio)-4-phenyl-8-oxa-2-aza-4-azoniaspiro[4.5]deca-1,3-dien-1-yl]-(2,6-dimethylphenyl)amine iodide Formula: C24H30IN3OS MolecularWeight: 535.48397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=NC(=[N+](C23CCOC(C3)(C)C)C4=CC=CC=C4)SC.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=NC(=[N+](C23CCOC(C3)(C)C)C4=CC=CC=C4)SC.[I-]

InChI

InChI=1S/C24H29N3OS.HI/c1-17-10-9-11-18(2)20(17)25-21-24(14-15-28-23(3,4)16-24)27(22(26-21)29-5)19-12-7-6-8-13-19;/h6-13H,14-16H2,1-5H3;1H