3-(1H-benzimidazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N5O/c1-2-26-13-15-27(16-14-26)18-9-7-17(8-10-18)23-22(28)12-11-21-24-19-5-3-4-6-20(19)25-21/h3-10H,2,11-16H2,1H3,(H,23,28)(H,24,25)/p+1