1-(3-methylphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[(3S)-piperidin-1-ium-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[(3S)-3-piperidin-1-iumyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Traditional Name: 1-(m-tolyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H19N3O/c1-10-4-2-5-11(8-10)15-13(17)16-12-6-3-7-14-9-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H2,15,16,17)/p+1/t12-/m0/s1