2-[[4-(4-cyclopentyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-phenol

Systemtic Name: 2-[[4-(4-cyclopentyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-phenol Openeye Name: 2-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-phenol CAS Name: 2-[[4-(4-cyclopentyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-5-methylphenol IUPAC Name: 2-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-methylphenol Traditional Name: 2-[[4-(4-cyclopentyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-methyl-phenol Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CCCC4)O

InChI

InChI=1S/C20H28N4O/c1-15-6-7-17(20(25)12-15)13-23-10-8-18(9-11-23)24-14-19(21-22-24)16-4-2-3-5-16/h6-7,12,14,16,18,25H,2-5,8-11,13H2,1H3/p+1