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

Systemtic Name: 3-butyl-1-methyl-1-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]urea Openeye Name: 3-butyl-1-methyl-1-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]urea CAS Name: 3-butyl-1-methyl-1-[2-[(2R)-2-piperidin-1-iumyl]ethyl]urea IUPAC Name: 3-butyl-1-methyl-1-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]urea Traditional Name: 3-butyl-1-methyl-1-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]urea Formula: C13H28N3O+ MolecularWeight: 242.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C)CCC1CCCC[NH2+]1

Isomeric SMILES

CCCCNC(=O)N(C)CC[C@H]1CCCC[NH2+]1

InChI

InChI=1S/C13H27N3O/c1-3-4-9-15-13(17)16(2)11-8-12-7-5-6-10-14-12/h12,14H,3-11H2,1-2H3,(H,15,17)/p+1/t12-/m1/s1