2-[(4-methylphenyl)methylcarbamoylamino]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylcarbamoylamino]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-(p-tolylmethylcarbamoylamino)acetamide CAS Name: 2-[[[(4-methylphenyl)methylamino]-oxomethyl]amino]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylcarbamoylamino]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-[(4-methylbenzyl)carbamoylamino]-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)NCC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)NCC(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-18-7-9-19(10-8-18)15-24-23(29)25-16-22(28)26-21(20-5-3-2-4-6-20)17-27-11-13-30-14-12-27/h2-10,21H,11-17H2,1H3,(H,26,28)(H2,24,25,29)/p+1/t21-/m1/s1