3,3-dimethyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]butan-1-one Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H26N6O/c1-18(2,3)13-17(25)23-11-9-22(10-12-23)14-16-19-20-21-24(16)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3/p+1