4-[(4-chlorophenyl)-phenyl-methyl]-1-dodecyl-1-methyl-piperazin-1-ium bromide hydrochloride

Systemtic Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-dodecyl-1-methyl-piperazin-1-ium bromide hydrochloride Openeye Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-dodecyl-1-methyl-piperazin-1-ium bromide hydrochloride CAS Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-dodecyl-1-methylpiperazin-1-ium bromide hydrochloride IUPAC Name: 4-[(4-chlorophenyl)-phenylmethyl]-1-dodecyl-1-methylpiperazin-1-ium bromide hydrochloride Traditional Name: 4-[(4-chlorophenyl)-phenyl-methyl]-1-lauryl-1-methyl-piperazin-1-ium bromide hydrochloride Formula: C30H47BrCl2N2 MolecularWeight: 586.51758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46ClN2.BrH.ClH/c1-3-4-5-6-7-8-9-10-11-15-24-33(2)25-22-32(23-26-33)30(27-16-13-12-14-17-27)28-18-20-29(31)21-19-28;;/h12-14,16-21,30H,3-11,15,22-26H2,1-2H3;2*1H/q+1;;/p-1