2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C20H24N5O2S2+ MolecularWeight: 430.56686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5O2S2/c1-13(19(27)23-20-14(18(21)26)6-11-28-20)25-9-7-24(8-10-25)12-17-22-15-4-2-3-5-16(15)29-17/h2-6,11,13H,7-10,12H2,1H3,(H2,21,26)(H,23,27)/p+1/t13-/m1/s1