N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-morpholin-4-yl-pyridine-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-morpholin-4-yl-pyridine-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-morpholino-pyridine-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-6-(4-morpholinyl)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-morpholin-4-ylpyridine-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-morpholino-nicotinamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H29N5O2/c1-2-25-9-11-26(12-10-25)20-6-4-19(5-7-20)24-22(28)18-3-8-21(23-17-18)27-13-15-29-16-14-27/h3-8,17H,2,9-16H2,1H3,(H,24,28)/p+1