N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C22H34ClN4O2+ MolecularWeight: 421.98396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C22H33ClN4O2/c1-3-17-7-8-19(23)18(4-2)22(17)24-20(28)15-25-11-13-26(14-12-25)16-21(29)27-9-5-6-10-27/h7-8H,3-6,9-16H2,1-2H3,(H,24,28)/p+1