4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]butyramide Formula: C24H35N2O5+ MolecularWeight: 431.5451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCOCC4

InChI

InChI=1S/C24H34N2O5/c27-20(19-5-7-21-22(17-19)31-14-4-13-30-21)6-8-23(28)25-18-24(9-2-1-3-10-24)26-11-15-29-16-12-26/h5,7,17H,1-4,6,8-16,18H2,(H,25,28)/p+1