[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-(3-ethynylphenyl)azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-(3-ethynylphenyl)azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-(3-ethynylphenyl)ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-(3-ethynylphenyl)ammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-(3-ethynylphenyl)azanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-(3-ethynylphenyl)ammonium Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)[NH2+]CC(=O)N2CCCCCCC2

Isomeric SMILES

C#CC1=CC(=CC=C1)[NH2+]CC(=O)N2CCCCCCC2

InChI

InChI=1S/C17H22N2O/c1-2-15-9-8-10-16(13-15)18-14-17(20)19-11-6-4-3-5-7-12-19/h1,8-10,13,18H,3-7,11-12,14H2/p+1