2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-16(18-6-4-3-5-7-18)22-21(24)10-11-23(2)15-17-8-9-19-20(14-17)26-13-12-25-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1