N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[4-(m-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=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

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