4-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: 4-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-thiophene-2-carboxamide Openeye Name: 4-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-thiophene-2-carboxamide CAS Name: 4-ethyl-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: 4-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-methylthiophene-2-carboxamide Traditional Name: 4-ethyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-methyl-thiophene-2-carboxamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)CC)C)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)CC)C)C

InChI

InChI=1S/C21H29N3OS/c1-5-17-14-20(26-16(17)4)21(25)22-19-8-7-18(13-15(19)3)24-11-9-23(6-2)10-12-24/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,22,25)/p+1