2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl]azanium Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]ammonium IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methylazanium Traditional Name: [3-(benzylcarbamoylamino)-3-keto-propyl]-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](CCC(=O)NC(=O)NCC1=CC=CC=C1)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O4/c1-24(15-17-7-8-18-19(13-17)28-12-11-27-18)10-9-20(25)23-21(26)22-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H2,22,23,25,26)/p+1