1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride

Systemtic Name: 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride Openeye Name: 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride CAS Name: 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride IUPAC Name: 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride Traditional Name: 1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazin-1-ium dichloride Formula: C36H42Cl6N4 MolecularWeight: 743.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC[NH+](CC2)C3=CC(=C(C=C3)Cl)Cl.CC(C1=CC=CC=C1)N2CC[NH+](CC2)C3=CC(=C(C=C3)Cl)Cl.[Cl-].[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)N2CC[NH+](CC2)C3=CC(=C(C=C3)Cl)Cl.CC(C1=CC=CC=C1)N2CC[NH+](CC2)C3=CC(=C(C=C3)Cl)Cl.[Cl-].[Cl-]

InChI

InChI=1S/2C18H20Cl2N2.2ClH/c2*1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16;;/h2*2-8,13-14H,9-12H2,1H3;2*1H