1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; octadecyl hydrogen sulfate

Systemtic Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; octadecyl hydrogen sulfate Openeye Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; octadecyl hydrogen sulfate CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine; sulfuric acid octadecyl ester IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine; octadecyl hydrogen sulfate Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-piperazine; sulfuric acid stearyl ester Formula: C36H59ClN2O4S MolecularWeight: 651.38266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN2.C18H38O4S/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-10,18H,11-14H2,1H3;2-18H2,1H3,(H,19,20,21)