4-chloranyl-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrate dihydrochloride

Systemtic Name: 4-chloranyl-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrate dihydrochloride Openeye Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-[3-(1-piperidyl)propyl]aniline hydrate dihydrochloride CAS Name: 4-chloro-2-[(4-chlorophenyl)thio]-N-[3-(1-piperidinyl)propyl]aniline hydrate dihydrochloride IUPAC Name: 4-chloro-2-(4-chlorophenyl)sulfanyl-N-(3-piperidin-1-ylpropyl)aniline hydrate dihydrochloride Traditional Name: [4-chloro-2-[(4-chlorophenyl)thio]phenyl]-(3-piperidinopropyl)amine hydrate dihydrochloride Formula: C40H52Cl6N4OS2 MolecularWeight: 881.71508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.C1CCN(CC1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.C1CCN(CC1)CCCNC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl.O.Cl.Cl

InChI

InChI=1S/2C20H24Cl2N2S.2ClH.H2O/c2*21-16-5-8-18(9-6-16)25-20-15-17(22)7-10-19(20)23-11-4-14-24-12-2-1-3-13-24;;;/h2*5-10,15,23H,1-4,11-14H2;2*1H;1H2