[2-(2-azanylethyl)-1-(2-iodanylphenyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone

Systemtic Name: [2-(2-azanylethyl)-1-(2-iodanylphenyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Openeye Name: [2-(2-aminoethyl)-1-(2-iodophenyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone CAS Name: [2-(2-aminoethyl)-1-(2-iodophenyl)-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-cyclohexylmethanone IUPAC Name: [2-(2-aminoethyl)-1-(2-iodophenyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexylmethanone Traditional Name: [2-(2-aminoethyl)-1-(2-iodophenyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-cyclohexyl-methanone Formula: C26H35IN3O2+ MolecularWeight: 548.47947

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3I)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3I)C(=O)C4CCCCC4

InChI

InChI=1S/C26H35IN3O2/c1-32-25-14-8-6-12-23(25)29-17-18-30(21(19-29)15-16-28,24-13-7-5-11-22(24)27)26(31)20-9-3-2-4-10-20/h5-8,11-14,20-21H,2-4,9-10,15-19,28H2,1H3/q+1