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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC1

InChI

InChI=1S/C25H30N2O4/c28-22(20-7-9-23-24(17-20)31-16-4-15-30-23)8-10-25(29)26-21-11-13-27(14-12-21)18-19-5-2-1-3-6-19/h1-3,5-7,9,17,21H,4,8,10-16,18H2,(H,26,29)/p+1