[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]amino]-2-oxoethyl]-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: benzhydryl-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C26H28N3O4+ MolecularWeight: 446.51822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC(=O)NC1=CC2=C(C=C1)OCCCO2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC(=O)NC(=O)NC1=CC2=C(C=C1)OCCCO2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4/c1-29(25(19-9-4-2-5-10-19)20-11-6-3-7-12-20)18-24(30)28-26(31)27-21-13-14-22-23(17-21)33-16-8-15-32-22/h2-7,9-14,17,25H,8,15-16,18H2,1H3,(H2,27,28,30,31)/p+1