1-[(R)-2H-chromen-3-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium

Systemtic Name: 1-[(R)-2H-chromen-3-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium Openeye Name: 1-[(R)-2H-chromen-3-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium CAS Name: 1-[(R)-2H-1-benzopyran-3-yl-(1-cyclohexyl-5-tetrazolyl)methyl]piperidin-1-ium IUPAC Name: 1-[(R)-2H-chromen-3-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium Traditional Name: 1-[(R)-2H-chromen-3-yl-(1-cyclohexyltetrazol-5-yl)methyl]piperidin-1-ium Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)C(C3=CC4=CC=CC=C4OC3)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)[C@@H](C3=CC4=CC=CC=C4OC3)[NH+]5CCCCC5

InChI

InChI=1S/C22H29N5O/c1-3-10-19(11-4-1)27-22(23-24-25-27)21(26-13-7-2-8-14-26)18-15-17-9-5-6-12-20(17)28-16-18/h5-6,9,12,15,19,21H,1-4,7-8,10-11,13-14,16H2/p+1/t21-/m1/s1