2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O4/c1-3-22-21(26)23-20(25)19(16-7-5-4-6-8-16)24(2)14-15-9-10-17-18(13-15)28-12-11-27-17/h4-10,13,19H,3,11-12,14H2,1-2H3,(H2,22,23,25,26)/p+1/t19-/m0/s1