N-(4-acetamidophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-acetamidophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H25N5O2+2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N5O2/c1-15(25)21-16-5-7-17(8-6-16)22-19(26)14-23-10-12-24(13-11-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,25)(H,22,26)/p+2