2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide Formula: C23H26N5O4+ MolecularWeight: 436.48364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N5O4/c24-14-17-1-3-18(4-2-17)15-27-7-9-28(10-8-27)16-22(29)26-23(30)25-19-5-6-20-21(13-19)32-12-11-31-20/h1-6,13H,7-12,15-16H2,(H2,25,26,29,30)/p+1