N-[(1S)-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: N-[(1S)-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: N-[(1S)-3-[(2-morpholinopyridin-1-ium-3-yl)methylamino]-3-oxo-1-phenyl-propyl]benzamide CAS Name: N-[(1S)-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: N-[(1S)-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide Traditional Name: N-[(1S)-3-keto-3-[(2-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=C(C=CC=[NH+]2)CNC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C[C@@H](C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

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