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

Systemtic Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-propan-2-yl-chromen-2-one dichloride Openeye Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-isopropyl-chromen-2-one dichloride CAS Name: 4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-propan-2-yl-1-benzopyran-2-one dichloride IUPAC Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-propan-2-ylchromen-2-one dichloride Traditional Name: 4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-isopropyl-coumarin dichloride Formula: C19H28Cl2N2O2 MolecularWeight: 387.34382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2.2ClH/c1-4-20-7-9-21(10-8-20)13-16-12-19(22)23-18-6-5-15(14(2)3)11-17(16)18;;/h5-6,11-12,14H,4,7-10,13H2,1-3H3;2*1H