[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H26N2O4/c1-3-11-26-19-8-5-17(6-9-19)15-24(2)16-22(25)23-18-7-10-20-21(14-18)28-13-4-12-27-20/h3,5-10,14H,1,4,11-13,15-16H2,2H3,(H,23,25)/p+1