2-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chlorobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-benzamide Formula: C24H25ClN3O+ MolecularWeight: 406.9278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H24ClN3O/c25-23-9-5-4-8-22(23)24(29)26-20-10-12-21(13-11-20)28-16-14-27(15-17-28)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,26,29)/p+1