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

Systemtic Name: 2-[(4-methylphenyl)methylcarbamoylamino]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-(p-tolylmethylcarbamoylamino)acetamide CAS Name: 2-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylcarbamoylamino]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[(4-methylbenzyl)carbamoylamino]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C21H27N5O3/c1-16-2-4-17(5-3-16)12-24-21(28)25-15-20(27)23-14-18-6-7-19(22-13-18)26-8-10-29-11-9-26/h2-7,13H,8-12,14-15H2,1H3,(H,23,27)(H2,24,25,28)/p+1