N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(4-methyl-1-piperidyl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-(4-methyl-1-piperidinyl)phenyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(4-methylpiperidino)phenyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H33N5O+2 MolecularWeight: 395.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H31N5O/c1-19-9-12-27(13-10-19)21-7-5-20(6-8-21)25-23(29)18-26-14-16-28(17-15-26)22-4-2-3-11-24-22/h2-8,11,19H,9-10,12-18H2,1H3,(H,25,29)/p+2