2H-chromen-3-yl-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: 2H-chromen-3-yl-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: 2H-chromen-3-yl-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: 2H-1-benzopyran-3-yl-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: 2H-chromen-3-yl-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: 2H-chromen-3-yl-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C16H20N2O2/c1-2-17-7-9-18(10-8-17)16(19)14-11-13-5-3-4-6-15(13)20-12-14/h3-6,11H,2,7-10,12H2,1H3/p+1