N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzofuran-2-carboxamide CAS Name: N-[(2R)-4-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2R)-4-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1R)-1-methyl-3-(4-phenylpiperazin-1-ium-1-yl)propyl]coumarilamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](CC[NH+]1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O2/c1-18(24-23(27)22-17-19-7-5-6-10-21(19)28-22)11-12-25-13-15-26(16-14-25)20-8-3-2-4-9-20/h2-10,17-18H,11-16H2,1H3,(H,24,27)/p+1/t18-/m1/s1