5-bromanyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-bromo-indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-bromo-isatin Formula: C21H22BrN2O2+ MolecularWeight: 414.31558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C21H21BrN2O2/c22-17-6-7-19-18(13-17)20(25)21(26)24(19)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1