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

Systemtic Name: 1-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5-bromanyl-indole-2,3-dione Openeye Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-bromo-indoline-2,3-dione CAS Name: 1-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5-bromoindole-2,3-dione IUPAC Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-bromo-isatin Formula: C21H27BrN3O3+ MolecularWeight: 449.36138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C21H26BrN3O3/c22-16-5-6-18-17(13-16)19(26)21(28)25(18)14-23-11-7-15(8-12-23)20(27)24-9-3-1-2-4-10-24/h5-6,13,15H,1-4,7-12,14H2/p+1