(E)-methyl-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)-(3-phenylpropylamino)azanium

Systemtic Name: (E)-methyl-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)-(3-phenylpropylamino)azanium Openeye Name: (E)-(2-hydroxy-1-methyl-2-oxo-ethylidene)-methyl-(3-phenylpropylamino)ammonium CAS Name: (E)-(1-hydroxy-1-oxopropan-2-ylidene)-methyl-(3-phenylpropylamino)ammonium IUPAC Name: (E)-(1-hydroxy-1-oxopropan-2-ylidene)-methyl-(3-phenylpropylamino)azanium Traditional Name: (E)-(2-hydroxy-2-keto-1-methyl-ethylidene)-methyl-(3-phenylpropylamino)ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[N+](C)NCCCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C/C(=[N+](/C)\NCCCC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C13H18N2O2/c1-11(13(16)17)15(2)14-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,14H,6,9-10H2,1-2H3/p+1/b15-11+