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

Systemtic Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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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=C3O

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C18H22N4O3S/c1-12(17(25)20-18-13(16(19)24)6-11-26-18)21-7-9-22(10-8-21)14-4-2-3-5-15(14)23/h2-6,11-12,23H,7-10H2,1H3,(H2,19,24)(H,20,25)/p+1/t12-/m1/s1