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

Systemtic Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-13(17(24)20-18-15(16(19)23)7-12-25-18)21-8-10-22(11-9-21)14-5-3-2-4-6-14/h2-7,12-13H,8-11H2,1H3,(H2,19,23)(H,20,24)/p+1/t13-/m1/s1