N-(2,6-dimethylphenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-methoxy-3-(pyridin-4-ylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-methoxy-3-(4-pyridylmethoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C28H33N4O4+ MolecularWeight: 489.58602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)OCC4=CC=NC=C4

InChI

InChI=1S/C28H32N4O4/c1-20-5-4-6-21(2)27(20)30-26(33)18-31-13-15-32(16-14-31)28(34)23-7-8-24(35-3)25(17-23)36-19-22-9-11-29-12-10-22/h4-12,17H,13-16,18-19H2,1-3H3,(H,30,33)/p+1