6-tert-butyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-tert-butyl-chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-tert-butylchromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-tert-butyl-coumarin Formula: C25H32N2O2+2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2/c1-25(2,3)21-9-10-23-22(16-21)20(15-24(28)29-23)18-27-13-11-26(12-14-27)17-19-7-5-4-6-8-19/h4-10,15-16H,11-14,17-18H2,1-3H3/p+2