N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(1S,2S)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-thiophen-2-yl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]thiophene-2-carboxamide CAS Name: N-[(1S,2S)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-thiophen-2-ylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(1S,2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S,2S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]thiophene-2-carboxamide Formula: C23H28N3OS2+ MolecularWeight: 426.61792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CS1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H27N3OS2/c1-18(24-23(27)21-10-6-16-29-21)22(20-9-5-15-28-20)26-13-11-25(12-14-26)17-19-7-3-2-4-8-19/h2-10,15-16,18,22H,11-14,17H2,1H3,(H,24,27)/p+1/t18-,22-/m0/s1