[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [2-[4-(3-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=C2)Cl)C3=CC=CC=C3C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=CC=CC=C3C[NH3+]

InChI

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