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

Systemtic Name: 6-chloranyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-4-[(4-methylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C15H18ClN2O2+ MolecularWeight: 293.76862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O2/c1-17-4-6-18(7-5-17)10-11-8-15(19)20-14-3-2-12(16)9-13(11)14/h2-3,8-9H,4-7,10H2,1H3/p+1