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(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium

(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium

Systemtic Name:(3-iodanyl-5-methoxy-4-propan-2-yloxy-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium
Openeye Name:(3-iodo-4-isopropoxy-5-methoxy-phenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium
CAS Name:(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium
IUPAC Name:(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]azanium
Traditional Name:(3-iodo-4-isopropoxy-5-methoxy-benzyl)-[(1S,2R)-2-methylcyclohexyl]ammonium
Formula: C18H29INO2+
MolecularWeight: 418.33283
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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=C(C(=C2)I)OC(C)C)OC


Isomeric SMILES

C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC(=C(C(=C2)I)OC(C)C)OC


InChI

InChI=1S/C18H28INO2/c1-12(2)22-18-15(19)9-14(10-17(18)21-4)11-20-16-8-6-5-7-13(16)3/h9-10,12-13,16,20H,5-8,11H2,1-4H3/p+1/t13-,16+/m1/s1


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