N-cyclopentyl-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide

Systemtic Name: N-cyclopentyl-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxamide Openeye Name: N-cyclopentyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide CAS Name: N-cyclopentyl-5-hydroxy-2-methyl-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-benzofurancarboxamide IUPAC Name: N-cyclopentyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-carboxamide Traditional Name: N-cyclopentyl-5-hydroxy-2-methyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-carboxamide Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)NC4CCCC4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CC[NH+](CC3)C)O)C(=O)NC4CCCC4

InChI

InChI=1S/C21H29N3O3/c1-14-19(21(26)22-15-5-3-4-6-15)20-16(17(25)7-8-18(20)27-14)13-24-11-9-23(2)10-12-24/h7-8,15,25H,3-6,9-13H2,1-2H3,(H,22,26)/p+2