N-[3-chloranyl-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: N-[3-chloranyl-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]acetamide CAS Name: N-[3-chloro-4-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]acetamide Traditional Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]acetamide Formula: C21H25ClN5O+ MolecularWeight: 398.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C)Cl

InChI

InChI=1S/C21H24ClN5O/c1-15(28)23-16-7-8-19(17(22)13-16)27-11-9-26(10-12-27)14-21-24-18-5-3-4-6-20(18)25(21)2/h3-8,13H,9-12,14H2,1-2H3,(H,23,28)/p+1