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

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-propan-2-yl-indole-2,3-dione Openeye Name: 5-isopropyl-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-propan-2-ylindole-2,3-dione IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-propan-2-ylindole-2,3-dione Traditional Name: 5-isopropyl-1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-16(2)17-4-9-21-20(14-17)22(27)23(28)26(21)15-24-10-12-25(13-11-24)18-5-7-19(29-3)8-6-18/h4-9,14,16H,10-13,15H2,1-3H3/p+1