2,2-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-1-benzofuran-7-carboxamide

Systemtic Name: 2,2-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-1-benzofuran-7-carboxamide Openeye Name: 2,2-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-benzofuran-7-carboxamide CAS Name: 2,2-dimethyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3H-benzofuran-7-carboxamide IUPAC Name: 2,2-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3H-1-benzofuran-7-carboxamide Traditional Name: 2,2-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]coumaran-7-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC(=C2O1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1(CC2=CC=CC(=C2O1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H27N3O2/c1-22(2)15-16-5-4-6-19(20(16)27-22)21(26)23-17-7-9-18(10-8-17)25-13-11-24(3)12-14-25/h4-10H,11-15H2,1-3H3,(H,23,26)/p+1