N-[(6-methyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-2-carboxamide

Systemtic Name: N-[(6-methyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]thiophene-2-carboxamide Openeye Name: N-[(6-methyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide CAS Name: N-[[6-methyl-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-thiophenecarboxamide IUPAC Name: N-[(6-methyl-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-N-[(6-methyl-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Formula: C27H33N4O2S+ MolecularWeight: 477.64152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCC3)CN(CCCN4CCCC4=O)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCC3)CN(CCCN4CCCC4=O)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H32N4O2S/c1-20-9-10-23-21(17-20)18-22(26(28-23)30-11-2-3-12-30)19-31(27(33)24-7-5-16-34-24)15-6-14-29-13-4-8-25(29)32/h5,7,9-10,16-18H,2-4,6,8,11-15,19H2,1H3/p+1