1-(3-methylphenyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-(3-methylphenyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-(m-tolyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-(3-methylphenyl)-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-(3-methylphenyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-(m-tolyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25N3O/c1-14-7-5-8-15(13-14)18-16(20)17-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,17,18,20)/p+1