N-[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[3-chloro-4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]nicotinamide Formula: C23H23Cl2N4O+ MolecularWeight: 442.36092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)C3=C(C=C(C=C3)NC(=O)C4=CN=CC=C4)Cl

InChI

InChI=1S/C23H22Cl2N4O/c24-20-6-2-1-4-18(20)16-28-10-12-29(13-11-28)22-8-7-19(14-21(22)25)27-23(30)17-5-3-9-26-15-17/h1-9,14-15H,10-13,16H2,(H,27,30)/p+1