N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H38N4O+2 MolecularWeight: 410.59542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C)C(C)(C)C

InChI

InChI=1S/C25H36N4O/c1-19-16-21(25(3,4)5)17-20(2)22(19)9-11-27-24(30)18-28-12-14-29(15-13-28)23-8-6-7-10-26-23/h6-8,10,16-17H,9,11-15,18H2,1-5H3,(H,27,30)/p+2