(E)-2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-(dimethylamino)-methyl-azanium

Systemtic Name: (E)-2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-(dimethylamino)-methyl-azanium Openeye Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]ethylidene-(dimethylamino)-methyl-ammonium CAS Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-(dimethylamino)-methylammonium IUPAC Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-(dimethylamino)-methylazanium Traditional Name: (E)-2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenyl]ethylidene-(dimethylamino)-methyl-ammonium Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)[N+](=CCC1=CC=C(C=C1)CC(C(=O)O)N)C

Isomeric SMILES

CN(C)/[N+](=C/CC1=CC=C(C=C1)CC(C(=O)O)N)/C

InChI

InChI=1S/C14H21N3O2/c1-16(2)17(3)9-8-11-4-6-12(7-5-11)10-13(15)14(18)19/h4-7,9,13H,8,10,15H2,1-3H3/p+1/b17-9+