1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea

Systemtic Name: 1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Openeye Name: 1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea CAS Name: 1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)urea IUPAC Name: 1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Traditional Name: 1-[(1S)-1-phenylbutyl]-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Formula: C20H34N3O+ MolecularWeight: 332.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C

InChI

InChI=1S/C20H33N3O/c1-6-10-17(15-11-8-7-9-12-15)22-18(24)21-16-13-19(2,3)23-20(4,5)14-16/h7-9,11-12,16-17,23H,6,10,13-14H2,1-5H3,(H2,21,22,24)/p+1/t17-/m0/s1