N-(2-ethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide CAS Name: N-(2-ethylphenyl)-N-[4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: N-(2-ethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: N-(2-ethylphenyl)-N-[4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazol-2-yl]acetamide Formula: C23H29N5OS+2 MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)C

InChI

InChI=1S/C23H27N5OS/c1-3-19-8-4-5-9-21(19)28(18(2)29)23-25-20(17-30-23)16-26-12-14-27(15-13-26)22-10-6-7-11-24-22/h4-11,17H,3,12-16H2,1-2H3/p+2