1-[(2S)-butan-2-yl]-3-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(2S)-butan-2-yl]-3-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(1S)-1-methylpropyl]-3-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-[(2S)-butan-2-yl]-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(2S)-butan-2-yl]-3-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(1S)-1-methylpropyl]-3-(2-piperidin-1-ium-1-ylethyl)urea Formula: C12H26N3O+ MolecularWeight: 228.35434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NCC[NH+]1CCCCC1

Isomeric SMILES

CC[C@H](C)NC(=O)NCC[NH+]1CCCCC1

InChI

InChI=1S/C12H25N3O/c1-3-11(2)14-12(16)13-7-10-15-8-5-4-6-9-15/h11H,3-10H2,1-2H3,(H2,13,14,16)/p+1/t11-/m0/s1