N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-thiophen-2-yl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(2-thienyl)propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-thiophen-2-ylpropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(2-thienyl)propionamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=CS3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCC3=CC=CS3)C

InChI

InChI=1S/C20H27N3OS/c1-3-22-10-12-23(13-11-22)17-6-8-19(16(2)15-17)21-20(24)9-7-18-5-4-14-25-18/h4-6,8,14-15H,3,7,9-13H2,1-2H3,(H,21,24)/p+1