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

Systemtic Name: 4-acetamido-N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-acetamido-N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)benzamide CAS Name: 4-acetamido-N-[[2-(1-azepanyl)-7-methoxy-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-acetamido-N-[[2-(azepan-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-acetamido-N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)benzamide Formula: C31H35N4O4+ MolecularWeight: 527.634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)OC)N5CCCCCC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N(CC2=CC=CO2)CC3=C([NH+]=C4C=C(C=CC4=C3)OC)N5CCCCCC5

InChI

InChI=1S/C31H34N4O4/c1-22(36)32-26-12-9-23(10-13-26)31(37)35(21-28-8-7-17-39-28)20-25-18-24-11-14-27(38-2)19-29(24)33-30(25)34-15-5-3-4-6-16-34/h7-14,17-19H,3-6,15-16,20-21H2,1-2H3,(H,32,36)/p+1