N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)furan-3-carboxamide

Systemtic Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)furan-3-carboxamide Openeye Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)furan-3-carboxamide CAS Name: N-[[2-(1-azepanyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-(3-methoxypropyl)-3-furancarboxamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)furan-3-carboxamide Traditional Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-3-furamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C3=COC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C3=COC=C3)N4CCCCCC4

InChI

InChI=1S/C26H33N3O3/c1-20-8-9-21-17-23(25(27-24(21)16-20)28-11-5-3-4-6-12-28)18-29(13-7-14-31-2)26(30)22-10-15-32-19-22/h8-10,15-17,19H,3-7,11-14,18H2,1-2H3/p+1