[3-[(3-ethynylphenyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3-ethynylphenyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-(3-ethynylanilino)-3-oxo-propyl]ammonium CAS Name: [3-(3-ethynylanilino)-3-oxopropyl]ammonium IUPAC Name: [3-(3-ethynylanilino)-3-oxopropyl]azanium Traditional Name: [3-(3-ethynylanilino)-3-keto-propyl]ammonium Formula: C11H13N2O+ MolecularWeight: 189.23372

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CC[NH3+]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CC[NH3+]

InChI

InChI=1S/C11H12N2O/c1-2-9-4-3-5-10(8-9)13-11(14)6-7-12/h1,3-5,8H,6-7,12H2,(H,13,14)/p+1