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

Systemtic Name: 3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzenecarbonitrile Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzonitrile CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-(4-morpholin-4-iumyl)methyl]benzonitrile IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-ylmethyl]benzonitrile Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzonitrile Formula: C17H23N6O+ MolecularWeight: 327.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC=CC(=C2)C#N)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC=CC(=C2)C#N)[NH+]3CCOCC3

InChI

InChI=1S/C17H22N6O/c1-17(2,3)23-16(19-20-21-23)15(22-7-9-24-10-8-22)14-6-4-5-13(11-14)12-18/h4-6,11,15H,7-10H2,1-3H3/p+1/t15-/m0/s1