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

Systemtic Name: 1-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(S)-(1-tert-butyl-5-tetrazolyl)-phenylmethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(S)-(1-tert-butyltetrazol-5-yl)-phenyl-methyl]piperidin-1-ium-4-carboxamide Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C18H26N6O/c1-18(2,3)24-17(20-21-22-24)15(13-7-5-4-6-8-13)23-11-9-14(10-12-23)16(19)25/h4-8,14-15H,9-12H2,1-3H3,(H2,19,25)/p+1/t15-/m0/s1