N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H30N4OS+2 MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-18-5-7-19(8-6-18)17-27-15-10-23-21(26)16-24-11-13-25(14-12-24)20-4-2-3-9-22-20/h2-9H,10-17H2,1H3,(H,23,26)/p+2