1-[4-[(2S)-butan-2-yl]phenyl]-3-(1-methylpiperidin-1-ium-4-yl)urea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(1-methylpiperidin-1-ium-4-yl)urea Openeye Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]urea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(1-methyl-4-piperidin-1-iumyl)urea IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(1-methylpiperidin-1-ium-4-yl)urea Traditional Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-[4-[(1S)-1-methylpropyl]phenyl]urea Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3O/c1-4-13(2)14-5-7-15(8-6-14)18-17(21)19-16-9-11-20(3)12-10-16/h5-8,13,16H,4,9-12H2,1-3H3,(H2,18,19,21)/p+1/t13-/m0/s1