[1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C20H28N5O+ MolecularWeight: 354.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O/c1-16-6-2-3-7-17(16)14-23-12-8-18(9-13-23)25-15-19(21-22-25)20(26)24-10-4-5-11-24/h2-3,6-7,15,18H,4-5,8-14H2,1H3/p+1