N-[2-(3-methylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H26N4O2/c1-17-5-4-6-18(15-17)26-14-9-22-20(25)16-23-10-12-24(13-11-23)19-7-2-3-8-21-19/h2-8,15H,9-14,16H2,1H3,(H,22,25)/p+2