N-(1,3-benzodioxol-5-yl)-2-[4-[3-(4-methylphenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[3-(4-methylphenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[3-(p-tolyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[3-(4-methylphenyl)-1H-imidazol-2-ylidene]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[3-(4-methylphenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-[1-(p-tolyl)-4-imidazolin-2-ylidene]piperazin-4-ium-1-yl]acetamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=CNC2=[N+]3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=CNC2=[N+]3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3/c1-17-2-5-19(6-3-17)28-9-8-24-23(28)27-12-10-26(11-13-27)15-22(29)25-18-4-7-20-21(14-18)31-16-30-20/h2-9,14H,10-13,15-16H2,1H3,(H,25,29)/p+1