2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azanium

Systemtic Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azanium Openeye Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonium CAS Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonium IUPAC Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]azanium Traditional Name: 2-acetamidoethyl-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)[NH2+]CCNC(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCO2)[NH2+]CCNC(=O)C

InChI

InChI=1S/C13H18N2O3/c1-9(14-5-6-15-10(2)16)11-3-4-12-13(7-11)18-8-17-12/h3-4,7,9,14H,5-6,8H2,1-2H3,(H,15,16)/p+1/t9-/m0/s1