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

Systemtic Name: 2,5-bis(chloranyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiophene-3-carboxamide Openeye Name: 2,5-dichloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiophene-3-carboxamide CAS Name: 2,5-dichloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-thiophenecarboxamide IUPAC Name: 2,5-dichloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]thiophene-3-carboxamide Traditional Name: 2,5-dichloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]thiophene-3-carboxamide Formula: C18H22Cl2N3OS+ MolecularWeight: 399.35778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3OS/c1-3-22-6-8-23(9-7-22)13-4-5-15(12(2)10-13)21-18(24)14-11-16(19)25-17(14)20/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,24)/p+1