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

Systemtic Name: 4-[(R)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzenecarbonitrile Openeye Name: 4-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzonitrile CAS Name: 4-[(R)-(1-cyclopentyl-5-tetrazolyl)-(4-morpholin-4-iumyl)methyl]benzonitrile IUPAC Name: 4-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ium-4-ylmethyl]benzonitrile Traditional Name: 4-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]benzonitrile Formula: C18H23N6O+ MolecularWeight: 339.41482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)C(C3=CC=C(C=C3)C#N)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)[C@@H](C3=CC=C(C=C3)C#N)[NH+]4CCOCC4

InChI

InChI=1S/C18H22N6O/c19-13-14-5-7-15(8-6-14)17(23-9-11-25-12-10-23)18-20-21-22-24(18)16-3-1-2-4-16/h5-8,16-17H,1-4,9-12H2/p+1/t17-/m1/s1