N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[(phenylmethyl)carbamoylamino]ethanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[(phenylmethyl)carbamoylamino]ethanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[[oxo-[(phenylmethyl)amino]methyl]amino]acetamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(benzylcarbamoylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c26-19(15-24-20(27)23-12-16-4-2-1-3-5-16)22-14-17-6-7-18(21-13-17)25-8-10-28-11-9-25/h1-7,13H,8-12,14-15H2,(H,22,26)(H2,23,24,27)/p+1