4-[cyclohexen-1-yl(phenyl)methyl]-1,1-diethyl-piperazin-1-ium iodide

Systemtic Name: 4-[cyclohexen-1-yl(phenyl)methyl]-1,1-diethyl-piperazin-1-ium iodide Openeye Name: 4-[cyclohexen-1-yl(phenyl)methyl]-1,1-diethyl-piperazin-1-ium iodide CAS Name: 4-[1-cyclohexenyl(phenyl)methyl]-1,1-diethylpiperazin-1-ium iodide IUPAC Name: 4-[cyclohexen-1-yl(phenyl)methyl]-1,1-diethylpiperazin-1-ium iodide Traditional Name: 4-[cyclohexen-1-yl(phenyl)methyl]-1,1-diethyl-piperazin-1-ium iodide Formula: C21H33IN2 MolecularWeight: 440.40459

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C2=CCCCC2)C3=CC=CC=C3)CC.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C2=CCCCC2)C3=CC=CC=C3)CC.[I-]

InChI

InChI=1S/C21H33N2.HI/c1-3-23(4-2)17-15-22(16-18-23)21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5,7-8,11-13,21H,3-4,6,9-10,14-18H2,1-2H3;1H/q+1;/p-1