6-chloranyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C16H20ClN2O2+ MolecularWeight: 307.7952

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-2-18-5-7-19(8-6-18)11-12-9-16(20)21-15-4-3-13(17)10-14(12)15/h3-4,9-10H,2,5-8,11H2,1H3/p+1