methyl 5-methyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-morpholin-4-iumylmethyl)anilino]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-13-11-16(18(23)25-2)17(27-13)21-19(24)20-15-5-3-14(4-6-15)12-22-7-9-26-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H2,20,21,24)/p+1