N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2,2-dimethyl-4-oxidanylidene-3H-chromen-6-yl)oxy]butanamide

Systemtic Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2,2-dimethyl-4-oxidanylidene-3H-chromen-6-yl)oxy]butanamide Openeye Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(2,2-dimethyl-4-oxo-chroman-6-yl)oxy-butanamide CAS Name: N-[2-(1-azepan-1-iumyl)ethyl]-2-[(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]butanamide IUPAC Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-[(2,2-dimethyl-4-oxo-3H-chromen-6-yl)oxy]butanamide Traditional Name: N-[2-(azepan-1-ium-1-yl)ethyl]-2-(4-keto-2,2-dimethyl-chroman-6-yl)oxy-butyramide Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC[NH+]1CCCCCC1)OC2=CC3=C(C=C2)OC(CC3=O)(C)C

Isomeric SMILES

CCC(C(=O)NCC[NH+]1CCCCCC1)OC2=CC3=C(C=C2)OC(CC3=O)(C)C

InChI

InChI=1S/C23H34N2O4/c1-4-20(22(27)24-11-14-25-12-7-5-6-8-13-25)28-17-9-10-21-18(15-17)19(26)16-23(2,3)29-21/h9-10,15,20H,4-8,11-14,16H2,1-3H3,(H,24,27)/p+1