1-butyl-4-(diphenylmethyl)-1-methyl-piperazin-1-ium iodide

Systemtic Name: 1-butyl-4-(diphenylmethyl)-1-methyl-piperazin-1-ium iodide Openeye Name: 4-benzhydryl-1-butyl-1-methyl-piperazin-1-ium iodide CAS Name: 1-butyl-4-(diphenylmethyl)-1-methylpiperazin-1-ium iodide IUPAC Name: 4-benzhydryl-1-butyl-1-methylpiperazin-1-ium iodide Traditional Name: 4-benzhydryl-1-butyl-1-methyl-piperazin-1-ium iodide Formula: C22H31IN2 MolecularWeight: 450.39941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N2.HI/c1-3-4-17-24(2)18-15-23(16-19-24)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;/h5-14,22H,3-4,15-19H2,1-2H3;1H/q+1;/p-1