bis(azanyl)methylidene-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: diaminomethylene-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: diaminomethylidene-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: diaminomethylidene-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: diaminomethylene-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C12H20N3O2+ MolecularWeight: 238.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]=C(N)N)O

InChI

InChI=1S/C12H19N3O2/c1-2-9-3-5-11(6-4-9)17-8-10(16)7-15-12(13)14/h3-6,10,16H,2,7-8H2,1H3,(H4,13,14,15)/p+1/t10-/m0/s1