N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanyl-5-methoxy-phenyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodanyl-5-methoxy-phenyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methoxy-phenyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)-N-methyl-1-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)-N-methylpropan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: homoveratryl-[3-(2-iodo-5-methoxy-phenyl)propyl]-methyl-amine; tosylic acid Formula: C28H36INO6S MolecularWeight: 641.55801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(CCCC1=C(C=CC(=C1)OC)I)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(CCCC1=C(C=CC(=C1)OC)I)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28INO3.C7H8O3S/c1-23(12-5-6-17-15-18(24-2)8-9-19(17)22)13-11-16-7-10-20(25-3)21(14-16)26-4;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,14-15H,5-6,11-13H2,1-4H3;2-5H,1H3,(H,8,9,10)