N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C21H26N4O2/c1-18-6-2-3-8-20(18)24-13-11-23(12-14-24)17-21(26)25(10-5-9-22)16-19-7-4-15-27-19/h2-4,6-8,15H,5,10-14,16-17H2,1H3/p+1