6-chloranyl-4-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-4-ethyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-4-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C17H23ClN2O3+2 MolecularWeight: 338.82912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H21ClN2O3/c1-3-11-8-15(21)23-17-12(11)9-14(18)16(22)13(17)10-20-6-4-19(2)5-7-20/h8-9,22H,3-7,10H2,1-2H3/p+2