1-butyl-4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide hydrochloride

Systemtic Name: 1-butyl-4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide hydrochloride Openeye Name: 1-butyl-4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide hydrochloride CAS Name: 1-butyl-4-[(4-chlorophenyl)-phenylmethyl]-1-methylpiperazin-1-ium iodide hydrochloride IUPAC Name: 1-butyl-4-[(4-chlorophenyl)-phenylmethyl]-1-methylpiperazin-1-ium iodide hydrochloride Traditional Name: 1-butyl-4-[(4-chlorophenyl)-phenyl-methyl]-1-methyl-piperazin-1-ium iodide hydrochloride Formula: C22H31Cl2IN2 MolecularWeight: 521.30541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN2.ClH.HI/c1-3-4-16-25(2)17-14-24(15-18-25)22(19-8-6-5-7-9-19)20-10-12-21(23)13-11-20;;/h5-13,22H,3-4,14-18H2,1-2H3;2*1H/q+1;;/p-1