4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-methyl-1-propan-2-yl-piperazin-1-ium iodide

Systemtic Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-methyl-1-propan-2-yl-piperazin-1-ium iodide Openeye Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-isopropyl-1-methyl-piperazin-1-ium iodide CAS Name: 4-[1-cyclohex-2-enyl(phenyl)methyl]-1-methyl-1-propan-2-ylpiperazin-1-ium iodide IUPAC Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-methyl-1-propan-2-ylpiperazin-1-ium iodide Traditional Name: 4-[cyclohex-2-en-1-yl(phenyl)methyl]-1-isopropyl-1-methyl-piperazin-1-ium iodide Formula: C21H33IN2 MolecularWeight: 440.40459

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCN(CC1)C(C2CCCC=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC(C)[N+]1(CCN(CC1)C(C2CCCC=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C21H33N2.HI/c1-18(2)23(3)16-14-22(15-17-23)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4,6-8,10-12,18,20-21H,5,9,13-17H2,1-3H3;1H/q+1;/p-1