N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-propanamide

Systemtic Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-propanamide Openeye Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)-2-methyl-propanamide CAS Name: N-[[2-(1-azepanyl)-7-methoxy-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)-2-methylpropanamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide Traditional Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)-2-methyl-propionamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=CO1)CC2=C([NH+]=C3C=C(C=CC3=C2)OC)N4CCCCCC4

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=CO1)CC2=C([NH+]=C3C=C(C=CC3=C2)OC)N4CCCCCC4

InChI

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