1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(1-tert-butyl-5-tetrazolyl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazin-1-ium Formula: C17H27N6O+ MolecularWeight: 331.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H26N6O/c1-17(2,3)23-16(18-19-20-23)13-21-9-11-22(12-10-21)14-5-7-15(24-4)8-6-14/h5-8H,9-13H2,1-4H3/p+1