4-(piperazin-4-ium-1-ylmethyl)-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-(piperazin-4-ium-1-ylmethyl)-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-(piperazin-4-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(1-piperazin-4-iumylmethyl)-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-(piperazin-4-ium-1-ylmethyl)-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-(piperazin-4-ium-1-ylmethyl)coumarin Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH2+]CC3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH2+]CC3

InChI

InChI=1S/C17H22N2O2/c1-12(2)13-3-4-16-15(9-13)14(10-17(20)21-16)11-19-7-5-18-6-8-19/h3-4,9-10,12,18H,5-8,11H2,1-2H3/p+1