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

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-N-phenethyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-N-phenethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H30N5OS+ MolecularWeight: 436.5929

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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=NC=CC=N4

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H29N5OS/c1-20-8-9-22(31-20)18-29(13-10-21-6-3-2-4-7-21)23(30)19-27-14-16-28(17-15-27)24-25-11-5-12-26-24/h2-9,11-12H,10,13-19H2,1H3/p+1