[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=CC=C(C=C3)C[NH3+]

InChI

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