N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]benzofuran-2-carboxamide CAS Name: N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]coumarilamide Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](C(C1)C2=CC=CC=C2)CCCNC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CC[NH+]([C@H](C1)C2=CC=CC=C2)CCCNC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O2/c1-25-14-15-26(20(17-25)18-8-3-2-4-9-18)13-7-12-24-23(27)22-16-19-10-5-6-11-21(19)28-22/h2-6,8-11,16,20H,7,12-15,17H2,1H3,(H,24,27)/p+2/t20-/m1/s1