[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C18H24ClN3+2 MolecularWeight: 317.85626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3/c19-17-5-2-6-18(12-17)22-9-7-21(8-10-22)14-16-4-1-3-15(11-16)13-20/h1-6,11-12H,7-10,13-14,20H2/p+2