N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]benzothiophene-2-carboxamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N3OS/c1-3-24-10-12-25(13-11-24)18-8-9-19(16(2)14-18)23-22(26)21-15-17-6-4-5-7-20(17)27-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)/p+1