N-(5-acetamido-2-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H27N5O3+2 MolecularWeight: 385.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-15(26)22-16-6-7-18(28-2)17(13-16)23-20(27)14-24-9-11-25(12-10-24)19-5-3-4-8-21-19/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)(H,23,27)/p+2