N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-yl-methanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-yl-methanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-pyridyl)methanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-pyridinyl)methanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine Traditional Name: (E)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(3-pyridylmethylene)amine Formula: C17H20ClN4+ MolecularWeight: 315.8205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)N=CC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)/N=C/C3=CN=CC=C3

InChI

InChI=1S/C17H19ClN4/c18-17-6-2-1-5-16(17)14-21-8-10-22(11-9-21)20-13-15-4-3-7-19-12-15/h1-7,12-13H,8-11,14H2/p+1/b20-13+