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

Systemtic Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-furylmethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-furanylmethyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(furan-2-ylmethyl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C22H28N4O3/c1-2-28-21-9-4-3-8-20(21)25-14-12-24(13-15-25)18-22(27)26(11-6-10-23)17-19-7-5-16-29-19/h3-5,7-9,16H,2,6,11-15,17-18H2,1H3/p+1