6-(aminocarbonylamino)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]hexanamide

Systemtic Name: 6-(aminocarbonylamino)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]hexanamide Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-6-ureido-hexanamide CAS Name: 6-(carbamoylamino)-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]hexanamide IUPAC Name: 6-(carbamoylamino)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]hexanamide Traditional Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-6-ureido-hexanamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)CCCCCNC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)CCCCCNC(=O)N

InChI

InChI=1S/C20H32N4O3/c1-16-6-8-17(9-7-16)18(15-24-11-13-27-14-12-24)23-19(25)5-3-2-4-10-22-20(21)26/h6-9,18H,2-5,10-15H2,1H3,(H,23,25)(H3,21,22,26)/p+1/t18-/m1/s1