3-[2-[2,5-bis(azanyl)phenyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-en-1-one

Systemtic Name: 3-[2-[2,5-bis(azanyl)phenyl]-1-oxidanyl-pyrrolidin-1-ium-1-yl]prop-1-en-1-one Openeye Name: 3-[2-(2,5-diaminophenyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]prop-1-en-1-one CAS Name: 3-[2-(2,5-diaminophenyl)-1-hydroxy-1-pyrrolidin-1-iumyl]-1-propen-1-one IUPAC Name: 3-[2-(2,5-diaminophenyl)-1-hydroxypyrrolidin-1-ium-1-yl]prop-1-en-1-one Traditional Name: 3-[2-(2,5-diaminophenyl)-1-hydroxy-pyrrolidin-1-ium-1-yl]prop-1-en-1-one Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C1)(CC=C=O)O)C2=C(C=CC(=C2)N)N

Isomeric SMILES

C1CC([N+](C1)(CC=C=O)O)C2=C(C=CC(=C2)N)N

InChI

InChI=1S/C13H18N3O2/c14-10-4-5-12(15)11(9-10)13-3-1-6-16(13,18)7-2-8-17/h2,4-5,9,13,18H,1,3,6-7,14-15H2/q+1