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

Systemtic Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide Openeye Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)cyclopropanecarboxamide CAS Name: N-[[2-(1-azepanyl)-7-methoxy-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)cyclopropanecarboxamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide Traditional Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)cyclopropanecarboxamide Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CC4)N5CCCCCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CC4)N5CCCCCC5

InChI

InChI=1S/C26H31N3O3/c1-31-22-11-10-20-15-21(25(27-24(20)16-22)28-12-4-2-3-5-13-28)17-29(26(30)19-8-9-19)18-23-7-6-14-32-23/h6-7,10-11,14-16,19H,2-5,8-9,12-13,17-18H2,1H3/p+1