(4-hex-2-ynylpiperazin-4-ium-1-yl)-phenyl-methanone

Systemtic Name: (4-hex-2-ynylpiperazin-4-ium-1-yl)-phenyl-methanone Openeye Name: (4-hex-2-ynylpiperazin-4-ium-1-yl)-phenyl-methanone CAS Name: (4-hex-2-ynyl-1-piperazin-4-iumyl)-phenylmethanone IUPAC Name: (4-hex-2-ynylpiperazin-4-ium-1-yl)-phenylmethanone Traditional Name: (4-hex-2-ynylpiperazin-4-ium-1-yl)-phenyl-methanone Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC#CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O/c1-2-3-4-8-11-18-12-14-19(15-13-18)17(20)16-9-6-5-7-10-16/h5-7,9-10H,2-3,11-15H2,1H3/p+1