2-[cyclohept-3-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide

Systemtic Name: 2-[cyclohept-3-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Openeye Name: 2-[cyclohept-3-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide CAS Name: 2-[1-cyclohept-3-enyl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide IUPAC Name: 2-[cyclohept-3-en-1-yl(phenyl)methyl]-1-ethyl-1-methylpiperazin-1-ium iodide Traditional Name: 2-[cyclohept-3-en-1-yl(phenyl)methyl]-1-ethyl-1-methyl-piperazin-1-ium iodide Formula: C21H33IN2 MolecularWeight: 440.40459

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1C(C2CCCC=CC2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCNCC1C(C2CCCC=CC2)C3=CC=CC=C3)C.[I-]

InChI

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