4-[cyclohexen-1-yl-(3-methoxyphenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide

Systemtic Name: 4-[cyclohexen-1-yl-(3-methoxyphenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Openeye Name: 4-[cyclohexen-1-yl-(3-methoxyphenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide CAS Name: 4-[1-cyclohexenyl-(3-methoxyphenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide IUPAC Name: 4-[cyclohexen-1-yl-(3-methoxyphenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide Traditional Name: 4-[cyclohexen-1-yl-(3-methoxyphenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Formula: C21H33IN2O MolecularWeight: 456.40399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O.HI/c1-4-23(2)15-13-22(14-16-23)21(18-9-6-5-7-10-18)19-11-8-12-20(17-19)24-3;/h8-9,11-12,17,21H,4-7,10,13-16H2,1-3H3;1H/q+1;/p-1