N-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-2-carboxamide

Systemtic Name: N-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-2-carboxamide Openeye Name: N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide CAS Name: N-[[7-methoxy-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-thiophenecarboxamide IUPAC Name: N-[(7-methoxy-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Formula: C27H33N4O4S+ MolecularWeight: 509.64032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCN3CCCC3=O)C(=O)C4=CC=CS4)N5CCOCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCN3CCCC3=O)C(=O)C4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C27H32N4O4S/c1-34-22-8-7-20-17-21(26(28-23(20)18-22)30-12-14-35-15-13-30)19-31(27(33)24-5-3-16-36-24)11-4-10-29-9-2-6-25(29)32/h3,5,7-8,16-18H,2,4,6,9-15,19H2,1H3/p+1