1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indole-2,3-dione Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-indoline-2,3-dione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methylindole-2,3-dione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methylindole-2,3-dione Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isatin Formula: C21H24N3O3+ MolecularWeight: 366.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23N3O3/c1-15-3-8-19-18(13-15)20(25)21(26)24(19)14-22-9-11-23(12-10-22)16-4-6-17(27-2)7-5-16/h3-8,13H,9-12,14H2,1-2H3/p+1