2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-furfurylcarbamoyl)acetamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CO3)C

InChI

InChI=1S/C20H26N4O3/c1-15-5-3-7-18(16(15)2)24-10-8-23(9-11-24)14-19(25)22-20(26)21-13-17-6-4-12-27-17/h3-7,12H,8-11,13-14H2,1-2H3,(H2,21,22,25,26)/p+1