N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-phenyl-1-piperazin-1-iumyl)-2-(3-pyridinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-carboxamide Traditional Name: N-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)-2-(3-pyridyl)ethyl]thiophene-2-carboxamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(CNC(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](CNC(=O)C2=CC=CS2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c27-22(21-9-5-15-28-21)24-17-20(18-6-4-10-23-16-18)26-13-11-25(12-14-26)19-7-2-1-3-8-19/h1-10,15-16,20H,11-14,17H2,(H,24,27)/p+1/t20-/m1/s1