3-(4-ethylpiperazin-4-ium-1-yl)carbonylchromen-2-one

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonylchromen-2-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)coumarin Formula: C16H19N2O3+ MolecularWeight: 287.33366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3/c1-2-17-7-9-18(10-8-17)15(19)13-11-12-5-3-4-6-14(12)21-16(13)20/h3-6,11H,2,7-10H2,1H3/p+1