4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(1-isopropylpiperidin-1-ium-4-yl)-4-keto-butyramide Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H30N2O4/c1-15(2)23-10-8-17(9-11-23)22-21(25)7-5-18(24)16-4-6-19-20(14-16)27-13-3-12-26-19/h4,6,14-15,17H,3,5,7-13H2,1-2H3,(H,22,25)/p+1