[4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[(3-ethynylphenyl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-(3-ethynylanilino)-4-oxo-butyl]ammonium CAS Name: [4-(3-ethynylanilino)-4-oxobutyl]ammonium IUPAC Name: [4-(3-ethynylanilino)-4-oxobutyl]azanium Traditional Name: [4-(3-ethynylanilino)-4-keto-butyl]ammonium Formula: C12H15N2O+ MolecularWeight: 203.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O/c1-2-10-5-3-6-11(9-10)14-12(15)7-4-8-13/h1,3,5-6,9H,4,7-8,13H2,(H,14,15)/p+1