N-(2-chlorophenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C26H28ClN4O4+ MolecularWeight: 495.97792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)OCC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)OCC4=CC=NC=C4

InChI

InChI=1S/C26H27ClN4O4/c1-34-23-7-6-20(16-24(23)35-18-19-8-10-28-11-9-19)26(33)31-14-12-30(13-15-31)17-25(32)29-22-5-3-2-4-21(22)27/h2-11,16H,12-15,17-18H2,1H3,(H,29,32)/p+1