1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexane-1-carboxamide

Systemtic Name: 1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexane-1-carboxamide Openeye Name: 1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide CAS Name: 1-[[(3-fluoroanilino)-oxomethyl]amino]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexane-1-carboxamide Traditional Name: 1-[(3-fluorophenyl)carbamoylamino]-N-(2-morpholin-4-ium-4-ylethyl)cyclohexanecarboxamide Formula: C20H30FN4O3+ MolecularWeight: 393.475603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC[NH+]2CCOCC2)NC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC[NH+]2CCOCC2)NC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H29FN4O3/c21-16-5-4-6-17(15-16)23-19(27)24-20(7-2-1-3-8-20)18(26)22-9-10-25-11-13-28-14-12-25/h4-6,15H,1-3,7-14H2,(H,22,26)(H2,23,24,27)/p+1