1-(3-methylphenyl)-3-[[(2R)-piperidin-1-ium-2-yl]methyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[[(2R)-piperidin-1-ium-2-yl]methyl]urea Openeye Name: 1-(m-tolyl)-3-[[(2R)-piperidin-1-ium-2-yl]methyl]urea CAS Name: 1-(3-methylphenyl)-3-[[(2R)-2-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[[(2R)-piperidin-1-ium-2-yl]methyl]urea Traditional Name: 1-(m-tolyl)-3-[[(2R)-piperidin-1-ium-2-yl]methyl]urea Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC2CCCC[NH2+]2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C14H21N3O/c1-11-5-4-7-12(9-11)17-14(18)16-10-13-6-2-3-8-15-13/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3,(H2,16,17,18)/p+1/t13-/m1/s1