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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-15(18-7-5-4-6-8-18)22-21(24)16(2)23(3)14-17-9-10-19-20(13-17)26-12-11-25-19/h4-10,13,15-16H,11-12,14H2,1-3H3,(H,22,24)/p+1/t15-,16-/m0/s1