1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]methyl]isatin Formula: C23H29N3O2+2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C23H27N3O2/c1-17(2)19-9-7-18(8-10-19)15-24-11-13-25(14-12-24)16-26-21-6-4-3-5-20(21)22(27)23(26)28/h3-10,17H,11-16H2,1-2H3/p+2