2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H28N4O+2 MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-15-12-16(2)20(17(3)13-15)22-19(25)14-23-8-10-24(11-9-23)18-6-4-5-7-21-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+2