1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperidin-1-ium

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperidin-1-ium Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-phenylmethyl]piperidin-1-ium IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium Formula: C17H26N5+ MolecularWeight: 300.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C17H25N5/c1-17(2,3)22-16(18-19-20-22)15(14-10-6-4-7-11-14)21-12-8-5-9-13-21/h4,6-7,10-11,15H,5,8-9,12-13H2,1-3H3/p+1/t15-/m0/s1