1-[1-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-yl-piperazin-1-ium iodide

Systemtic Name: 1-[1-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-yl-piperazin-1-ium iodide Openeye Name: 1-[2-(4-cyclohexylphenyl)-1-methyl-ethyl]-1-isopropyl-piperazin-1-ium iodide CAS Name: 1-[1-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperazin-1-ium iodide IUPAC Name: 1-[1-(4-cyclohexylphenyl)propan-2-yl]-1-propan-2-ylpiperazin-1-ium iodide Traditional Name: 1-[2-(4-cyclohexylphenyl)-1-methyl-ethyl]-1-isopropyl-piperazin-1-ium iodide Formula: C22H37IN2 MolecularWeight: 456.44705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCNCC1)C(C)CC2=CC=C(C=C2)C3CCCCC3.[I-]

Isomeric SMILES

CC(C)[N+]1(CCNCC1)C(C)CC2=CC=C(C=C2)C3CCCCC3.[I-]

InChI

InChI=1S/C22H37N2.HI/c1-18(2)24(15-13-23-14-16-24)19(3)17-20-9-11-22(12-10-20)21-7-5-4-6-8-21;/h9-12,18-19,21,23H,4-8,13-17H2,1-3H3;1H/q+1;/p-1