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

Systemtic Name: N-[3-chloranyl-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide Openeye Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide CAS Name: N-[3-chloro-4-[4-[(1-methyl-2-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenyl]butanamide IUPAC Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butanamide Traditional Name: N-[3-chloro-4-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]butyramide Formula: C23H29ClN5O+ MolecularWeight: 426.96226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN5O/c1-3-6-23(30)25-17-9-10-20(18(24)15-17)29-13-11-28(12-14-29)16-22-26-19-7-4-5-8-21(19)27(22)2/h4-5,7-10,15H,3,6,11-14,16H2,1-2H3,(H,25,30)/p+1