[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]-[(1S)-tetralin-1-yl]ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl]-[(1S)-tetralin-1-yl]ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+]C3CCCC4=CC=CC=C34

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH2+][C@H]3CCCC4=CC=CC=C34

InChI

InChI=1S/C21H24N2O3/c1-14(23-18-8-4-6-16-5-2-3-7-17(16)18)21(24)22-12-15-9-10-19-20(11-15)26-13-25-19/h2-3,5,7,9-11,14,18,23H,4,6,8,12-13H2,1H3,(H,22,24)/p+1/t14-,18+/m1/s1