N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thiophene-2-carboxamide Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H29N3O3S/c31-26(25-7-4-16-34-25)28-23(18-20-5-2-1-3-6-20)27(32)30-13-11-29(12-14-30)19-21-8-9-24-22(17-21)10-15-33-24/h1-9,16-17,23H,10-15,18-19H2,(H,28,31)/p+1/t23-/m0/s1