ethyl 2-[[4-(dimethylamino)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]carbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(dimethylamino)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-(dimethylamino)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]carbamoylamino]acetate CAS Name: 2-[[[4-(dimethylamino)-3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]anilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(dimethylamino)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-(dimethylamino)-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]carbamoylamino]acetic acid ethyl ester Formula: C20H32N5O5+ MolecularWeight: 422.49858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)NCC[NH+]2CCOCC2

Isomeric SMILES

CCOC(=O)CNC(=O)NC1=CC(=C(C=C1)N(C)C)C(=O)NCC[NH+]2CCOCC2

InChI

InChI=1S/C20H31N5O5/c1-4-30-18(26)14-22-20(28)23-15-5-6-17(24(2)3)16(13-15)19(27)21-7-8-25-9-11-29-12-10-25/h5-6,13H,4,7-12,14H2,1-3H3,(H,21,27)(H2,22,23,28)/p+1