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

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-phenyl-piperazine-1-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-phenyl-piperazine-1-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-phenyl-1-piperazinecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-4-phenylpiperazine-1-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-4-phenyl-piperazine-1-carboxamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C21H27N5O2/c27-21(26-10-8-24(9-11-26)19-4-2-1-3-5-19)23-17-18-6-7-22-20(16-18)25-12-14-28-15-13-25/h1-7,16H,8-15,17H2,(H,23,27)/p+1