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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-23(12-14-10-15(21)4-6-17(14)25-2)13-20(24)22-16-5-7-18-19(11-16)27-9-3-8-26-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,24)/p+1