[7-[(3-ethynylphenyl)amino]-7-oxidanylidene-heptyl]azanium

Systemtic Name: [7-[(3-ethynylphenyl)amino]-7-oxidanylidene-heptyl]azanium Openeye Name: [7-(3-ethynylanilino)-7-oxo-heptyl]ammonium CAS Name: [7-(3-ethynylanilino)-7-oxoheptyl]ammonium IUPAC Name: [7-(3-ethynylanilino)-7-oxoheptyl]azanium Traditional Name: [7-(3-ethynylanilino)-7-keto-heptyl]ammonium Formula: C15H21N2O+ MolecularWeight: 245.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O/c1-2-13-8-7-9-14(12-13)17-15(18)10-5-3-4-6-11-16/h1,7-9,12H,3-6,10-11,16H2,(H,17,18)/p+1