3-[(R)-azepan-1-ium-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile CAS Name: 3-[(R)-1-azepan-1-iumyl-(1-cyclopentyl-5-tetrazolyl)methyl]benzonitrile IUPAC Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile Traditional Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile Formula: C20H27N6+ MolecularWeight: 351.46858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC(=C2)C#N)C3=NN=NN3C4CCCC4

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC(=C2)C#N)C3=NN=NN3C4CCCC4

InChI

InChI=1S/C20H26N6/c21-15-16-8-7-9-17(14-16)19(25-12-5-1-2-6-13-25)20-22-23-24-26(20)18-10-3-4-11-18/h7-9,14,18-19H,1-6,10-13H2/p+1/t19-/m1/s1