N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-4-yl-N-phenethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-4-yl-N-phenethyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-6-morpholino-N-phenethyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-6-(4-morpholinyl)-N-phenethyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-6-morpholin-4-yl-N-phenethylpyridin-1-ium-3-carboxamide Traditional Name: N-[(1-methylimidazol-2-yl)methyl]-6-morpholino-N-phenethyl-pyridin-1-ium-3-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CCC2=CC=CC=C2)C(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CN1C=CN=C1CN(CCC2=CC=CC=C2)C(=O)C3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H27N5O2/c1-26-12-10-24-22(26)18-28(11-9-19-5-3-2-4-6-19)23(29)20-7-8-21(25-17-20)27-13-15-30-16-14-27/h2-8,10,12,17H,9,11,13-16,18H2,1H3/p+1