N-[(7-chloranyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-(furan-2-ylmethyl)-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-[(7-chloranyl-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-(furan-2-ylmethyl)-2-oxidanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-[(7-chloro-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-(2-furylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-[[7-chloro-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-[(7-chloro-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-(furan-2-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-[(7-chloro-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-N-(2-furfuryl)-2-keto-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C29H30ClN4O3+ MolecularWeight: 518.0265

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N(CC3=CC=CO3)CC4=C([NH+]=C5C=C(C=CC5=C4)Cl)N6CCCC6

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N(CC3=CC=CO3)CC4=C([NH+]=C5C=C(C=CC5=C4)Cl)N6CCCC6

InChI

InChI=1S/C29H29ClN4O3/c30-22-10-9-20-14-21(27(31-26(20)16-22)33-11-3-4-12-33)17-34(18-23-7-5-13-37-23)29(36)24-15-19-6-1-2-8-25(19)32-28(24)35/h5,7,9-10,13-16H,1-4,6,8,11-12,17-18H2,(H,32,35)/p+1