4,6-dimethyl-1-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4,6-dimethyl-1-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-indoline-2,3-dione CAS Name: 4,6-dimethyl-1-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 4,6-dimethyl-1-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]methyl]-4,6-dimethyl-isatin Formula: C24H29N3O2+2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)CC=CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)C2=O)C[NH+]3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O2/c1-18-15-19(2)22-21(16-18)27(24(29)23(22)28)17-26-13-11-25(12-14-26)10-6-9-20-7-4-3-5-8-20/h3-9,15-16H,10-14,17H2,1-2H3/p+2/b9-6+