N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5O2S/c1-23-8-4-6-16(23)20(27)22-18(26)13-24-9-11-25(12-10-24)14-19-21-15-5-2-3-7-17(15)28-19/h2-8H,9-14H2,1H3,(H,22,26,27)/p+1