cyclohexylmethyl-[3-(4-methylphenyl)oxan-4-yl]-(prop-2-enoylamino)-thiophen-2-yl-azanium iodide

Systemtic Name: cyclohexylmethyl-[3-(4-methylphenyl)oxan-4-yl]-(prop-2-enoylamino)-thiophen-2-yl-azanium iodide Openeye Name: cyclohexylmethyl-(prop-2-enoylamino)-[3-(p-tolyl)tetrahydropyran-4-yl]-(2-thienyl)ammonium iodide CAS Name: cyclohexylmethyl-[3-(4-methylphenyl)-4-oxanyl]-(1-oxoprop-2-enylamino)-thiophen-2-ylammonium iodide IUPAC Name: cyclohexylmethyl-[3-(4-methylphenyl)oxan-4-yl]-(prop-2-enoylamino)-thiophen-2-ylazanium iodide Traditional Name: acrylamido-(cyclohexylmethyl)-[3-(p-tolyl)tetrahydropyran-4-yl]-(2-thienyl)ammonium iodide Formula: C26H35IN2O2S MolecularWeight: 566.53777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2COCCC2[N+](CC3CCCCC3)(C4=CC=CS4)NC(=O)C=C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2COCCC2[N+](CC3CCCCC3)(C4=CC=CS4)NC(=O)C=C.[I-]

InChI

InChI=1S/C26H34N2O2S.HI/c1-3-25(29)27-28(26-10-7-17-31-26,18-21-8-5-4-6-9-21)24-15-16-30-19-23(24)22-13-11-20(2)12-14-22;/h3,7,10-14,17,21,23-24H,1,4-6,8-9,15-16,18-19H2,2H3;1H