2-[4-[(5-bromanyl-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(5-bromanyl-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(5-bromo-1H-indol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H24BrN4O2+ MolecularWeight: 408.31276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H23BrN4O2/c1-12(2)20-17(24)11-22-5-7-23(8-6-22)18(25)16-10-13-9-14(19)3-4-15(13)21-16/h3-4,9-10,12,21H,5-8,11H2,1-2H3,(H,20,24)/p+1