1,3-benzodioxol-5-ylmethyl-[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]-piperonyl-ammonium Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=CC=CC=C2C=C1)[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3/c1-14(22-12-15-6-9-19-20(10-15)26-13-25-19)21(24)23-18-8-7-16-4-2-3-5-17(16)11-18/h2-11,14,22H,12-13H2,1H3,(H,23,24)/p+1/t14-/m0/s1