ethyl 4-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(C)CC2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N(C)CC2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O4/c1-3-28-21(27)25-12-10-24(11-13-25)15-20(26)23(2)14-18-8-9-19(29-18)16-4-6-17(22)7-5-16/h4-9H,3,10-15H2,1-2H3/p+1