N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(3-cyano-4,5-dimethyl-2-furyl)acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H23N5O2/c1-15-16(2)28-21(19(15)12-23)24-20(27)14-26-9-7-25(8-10-26)13-18-5-3-17(11-22)4-6-18/h3-6H,7-10,13-14H2,1-2H3,(H,24,27)/p+1