N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-N-methyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-N-methyl-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(2-furfurylamino)-2-keto-ethyl]-N-methyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N(C)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H28N4O3/c1-17-6-3-4-8-19(17)25-11-9-24(10-12-25)16-21(27)23(2)15-20(26)22-14-18-7-5-13-28-18/h3-8,13H,9-12,14-16H2,1-2H3,(H,22,26)/p+1