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

Systemtic Name: 2-[4-[(5-bromanyl-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-bromo-1H-indol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H24BrN4O2+ MolecularWeight: 456.35556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)Br

InChI

InChI=1S/C22H23BrN4O2/c23-18-6-7-19-17(12-18)13-20(25-19)22(29)27-10-8-26(9-11-27)15-21(28)24-14-16-4-2-1-3-5-16/h1-7,12-13,25H,8-11,14-15H2,(H,24,28)/p+1