N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H22N4OS/c1-2-23-9-11-24(12-10-23)17-6-4-16(5-7-17)22-20(25)15-3-8-18-19(13-15)26-14-21-18/h3-8,13-14H,2,9-12H2,1H3,(H,22,25)/p+1