2-(2-methoxy-5-methyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-methoxy-5-methyl-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-methoxy-5-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-methoxy-5-methylphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-methoxy-5-methylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-methoxy-5-methyl-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C20H25N3O2/c1-16-3-4-19(25-2)18(13-16)14-20(24)23-11-9-22(10-12-23)15-17-5-7-21-8-6-17/h3-8,13H,9-12,14-15H2,1-2H3/p+1