(3R)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3R)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3R)-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]chromane-3-carboxamide CAS Name: (3R)-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3R)-N-[[2-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]chroman-3-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3CC4=CC=CC=C4OC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=N2)CNC(=O)[C@@H]3CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H26N4O2/c1-24-9-11-25(12-10-24)20-17(6-4-8-22-20)14-23-21(26)18-13-16-5-2-3-7-19(16)27-15-18/h2-8,18H,9-15H2,1H3,(H,23,26)/p+1/t18-/m1/s1