2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H28N4O2S/c1-29-19-8-6-18(7-9-19)10-11-24-22(28)16-26-12-14-27(15-13-26)17-23-25-20-4-2-3-5-21(20)30-23/h2-9H,10-17H2,1H3,(H,24,28)/p+1