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

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30ClN4O+ MolecularWeight: 401.9528

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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=CC=N3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H29ClN4O/c1-3-17-8-9-20(23)19(4-2)22(17)25-21(28)16-27-13-11-26(12-14-27)15-18-7-5-6-10-24-18/h5-10H,3-4,11-16H2,1-2H3,(H,25,28)/p+1