(2R)-2-(aminocarbonylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-phenyl-propanamide

Systemtic Name: (2R)-2-(aminocarbonylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-phenyl-propanamide Openeye Name: (2R)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-phenyl-2-ureido-propanamide CAS Name: (2R)-2-(carbamoylamino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: (2R)-2-(carbamoylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-phenylpropanamide Traditional Name: (2R)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-phenyl-2-ureido-propionamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C20H25N5O3/c21-20(27)24-17(12-15-4-2-1-3-5-15)19(26)23-14-16-6-7-18(22-13-16)25-8-10-28-11-9-25/h1-7,13,17H,8-12,14H2,(H,23,26)(H3,21,24,27)/p+1/t17-/m1/s1