N-[(1S)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: N-[(1S)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: N-[(1S)-3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-oxo-1-phenyl-propyl]benzamide CAS Name: N-[(1S)-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: N-[(1S)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide Traditional Name: N-[(1S)-3-keto-3-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-1-phenyl-propyl]benzamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(28-19-20-11-12-24(27-18-20)30-13-15-33-16-14-30)17-23(21-7-3-1-4-8-21)29-26(32)22-9-5-2-6-10-22/h1-12,18,23H,13-17,19H2,(H,28,31)(H,29,32)/p+1/t23-/m0/s1