2-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C17H23N5O2S+2 MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H21N5O2S/c1-12(16(24)20-17-13(15(18)23)5-11-25-17)21-7-9-22(10-8-21)14-4-2-3-6-19-14/h2-6,11-12H,7-10H2,1H3,(H2,18,23)(H,20,24)/p+2/t12-/m1/s1