1-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione CAS Name: 1-(1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethane-1,2-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O2/c25-20(18-14-22-19-9-5-4-8-17(18)19)21(26)24-12-10-23(11-13-24)15-16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2/p+1