6-chloranyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C16H21ClN2O2+2 MolecularWeight: 308.80314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CC[NH+](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+2