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

Systemtic Name: N-[2-[ethyl-(3-methylphenyl)amino]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(N-ethyl-3-methyl-anilino)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC(=C3)C

Isomeric SMILES

CCN(CCNC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2)C3=CC=CC(=C3)C

InChI

InChI=1S/C22H31N5O/c1-3-26(20-8-6-7-19(2)17-20)12-11-24-22(28)18-25-13-15-27(16-14-25)21-9-4-5-10-23-21/h4-10,17H,3,11-16,18H2,1-2H3,(H,24,28)/p+2