N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-N-phenethyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H32N4OS+2 MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H30N4OS/c1-21-10-11-23(31-21)19-29(14-12-22-7-3-2-4-8-22)25(30)20-27-15-17-28(18-16-27)24-9-5-6-13-26-24/h2-11,13H,12,14-20H2,1H3/p+2