N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C19H26N7O2+ MolecularWeight: 384.45544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C19H25N7O2/c27-19(26-8-6-25(7-9-26)18-21-3-1-4-22-18)23-15-16-2-5-20-17(14-16)24-10-12-28-13-11-24/h1-5,14H,6-13,15H2,(H,23,27)/p+1