5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide

Systemtic Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide Openeye Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide CAS Name: 5,5-dimethyl-2-[[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide IUPAC Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide Traditional Name: 5,5-dimethyl-2-(3-morpholin-4-ium-4-ylpropylcarbamoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)N)NC(=O)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)N)NC(=O)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C18H28N4O4S/c1-18(2)10-12-13(11-26-18)27-16(14(12)15(19)23)21-17(24)20-4-3-5-22-6-8-25-9-7-22/h3-11H2,1-2H3,(H2,19,23)(H2,20,21,24)/p+1