N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-[3-(4-ethanoylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[1-[3-(4-acetylphenoxy)propyl]-1-pyrrolidin-1-iumyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[1-[3-(4-acetylphenoxy)propyl]pyrrolidin-1-ium-1-yl]-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N[N+]2(CCCC2)CCCOC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H28N4O3S/c1-17-10-11-23-22(24-17)30-16-21(28)25-26(12-3-4-13-26)14-5-15-29-20-8-6-19(7-9-20)18(2)27/h6-11H,3-5,12-16H2,1-2H3/p+1