N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]acetamide Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H28ClN3O2/c1-3-16-7-8-19(22)18(4-2)21(16)23-20(26)15-25-11-9-24(10-12-25)14-17-6-5-13-27-17/h5-8,13H,3-4,9-12,14-15H2,1-2H3,(H,23,26)/p+1