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

Systemtic Name: 1-[[1-(3-methylbutyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(1-isopentyltetrazol-5-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[1-(3-methylbutyl)-5-tetrazolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(1-isoamyltetrazol-5-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C17H27N6+ MolecularWeight: 315.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NN=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H26N6/c1-15(2)8-9-23-17(18-19-20-23)14-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3/p+1