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

Systemtic Name: 1-adamantyl-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1-adamantyl-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1-adamantyl-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H30N6O/c30-22(23-13-17-10-18(14-23)12-19(11-17)15-23)28-8-6-27(7-9-28)16-21-24-25-26-29(21)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2/p+1