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

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzothiophene-2-carboxamide Formula: C21H23ClN3OS+ MolecularWeight: 400.94482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H22ClN3OS/c1-2-24-11-13-25(14-12-24)16-9-7-15(8-10-16)23-21(26)20-19(22)17-5-3-4-6-18(17)27-20/h3-10H,2,11-14H2,1H3,(H,23,26)/p+1