5-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]thiophene-2-carboxamide Formula: C18H23BrN3OS+ MolecularWeight: 409.36372

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C18H22BrN3OS/c1-3-21-8-10-22(11-9-21)15-5-4-14(12-13(15)2)20-18(23)16-6-7-17(19)24-16/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)/p+1