1-(4-methoxyphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea

Systemtic Name: 1-(4-methoxyphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea CAS Name: 1-(4-methoxyphenyl)-3-[(3S)-3-piperidin-1-iumyl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[(3S)-piperidin-1-ium-3-yl]urea Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2CCC[NH2+]C2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H19N3O2/c1-18-12-6-4-10(5-7-12)15-13(17)16-11-3-2-8-14-9-11/h4-7,11,14H,2-3,8-9H2,1H3,(H2,15,16,17)/p+1/t11-/m0/s1