4-[cyclohexyl(phenyl)methyl]-1-ethyl-1-propan-2-yl-piperazin-1-ium iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2CCCCC2)C3=CC=CC=C3)C(C)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2CCCCC2)C3=CC=CC=C3)C(C)C.[I-]

InChI

InChI=1S/C22H37N2.HI/c1-4-24(19(2)3)17-15-23(16-18-24)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5,7-8,11-12,19,21-22H,4,6,9-10,13-18H2,1-3H3;1H/q+1;/p-1