2-[(4-methyl-4-propyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexan-1-ol iodide

Systemtic Name: 2-[(4-methyl-4-propyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexan-1-ol iodide Openeye Name: 2-[(4-methyl-4-propyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexanol iodide CAS Name: 2-[(4-methyl-4-propyl-1-piperazin-4-iumyl)-phenylmethyl]-1-cyclohexanol iodide IUPAC Name: 2-[(4-methyl-4-propylpiperazin-4-ium-1-yl)-phenylmethyl]cyclohexan-1-ol iodide Traditional Name: 2-[(4-methyl-4-propyl-piperazin-4-ium-1-yl)-phenyl-methyl]cyclohexanol iodide Formula: C21H35IN2O MolecularWeight: 458.41987

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCN(CC1)C(C2CCCCC2O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCC[N+]1(CCN(CC1)C(C2CCCCC2O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C21H35N2O.HI/c1-3-15-23(2)16-13-22(14-17-23)21(18-9-5-4-6-10-18)19-11-7-8-12-20(19)24;/h4-6,9-10,19-21,24H,3,7-8,11-17H2,1-2H3;1H/q+1;/p-1