N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methoxy-benzamide

Systemtic Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methoxy-benzamide Openeye Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methoxy-benzamide CAS Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]ethyl]-4-methoxybenzamide IUPAC Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methoxybenzamide Traditional Name: N-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-4-methoxy-benzamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CC[NH+](CC3)CCNC(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H28N4O2S/c1-16-4-9-20-21(17(16)2)25-23(30-20)27-14-12-26(13-15-27)11-10-24-22(28)18-5-7-19(29-3)8-6-18/h4-9H,10-15H2,1-3H3,(H,24,28)/p+1