1H-indol-3-yl-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-3-yl-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indol-3-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1H-indol-3-yl-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-3-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indol-3-yl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C21H22N7O+ MolecularWeight: 388.44568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H21N7O/c29-21(18-14-22-19-9-5-4-8-17(18)19)27-12-10-26(11-13-27)15-20-23-24-25-28(20)16-6-2-1-3-7-16/h1-9,14,22H,10-13,15H2/p+1