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

Systemtic Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide Openeye Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furylmethyl)cyclobutanecarboxamide CAS Name: N-[[2-(1-azepanyl)-7-methoxy-3-quinolin-1-iumyl]methyl]-N-(2-furanylmethyl)cyclobutanecarboxamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methoxyquinolin-1-ium-3-yl]methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide Traditional Name: N-[[2-(azepan-1-yl)-7-methoxy-quinolin-1-ium-3-yl]methyl]-N-(2-furfuryl)cyclobutanecarboxamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CCC4)N5CCCCCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4CCC4)N5CCCCCC5

InChI

InChI=1S/C27H33N3O3/c1-32-23-12-11-21-16-22(26(28-25(21)17-23)29-13-4-2-3-5-14-29)18-30(19-24-10-7-15-33-24)27(31)20-8-6-9-20/h7,10-12,15-17,20H,2-6,8-9,13-14,18-19H2,1H3/p+1