N-[(5-chloranylthiophen-2-yl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H24ClN3O2S/c1-2-9-24(14-16-7-8-19(21)27-16)20(26)15-22-10-12-23(13-11-22)17-5-3-4-6-18(17)25/h2-8,25H,1,9-15H2/p+1