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

Systemtic Name: 4-[(R)-azepan-1-ium-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]phenol Openeye Name: 4-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol CAS Name: 4-[(R)-1-azepan-1-iumyl-(1-cyclopentyl-5-tetrazolyl)methyl]phenol IUPAC Name: 4-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol Traditional Name: 4-[(R)-azepan-1-ium-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]phenol Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O/c25-17-11-9-15(10-12-17)18(23-13-5-1-2-6-14-23)19-20-21-22-24(19)16-7-3-4-8-16/h9-12,16,18,25H,1-8,13-14H2/p+1/t18-/m1/s1