1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2

InChI

InChI=1S/C17H27N3O/c1-14(2)19-17(21)18-12-15-6-8-16(9-7-15)13-20-10-4-3-5-11-20/h6-9,14H,3-5,10-13H2,1-2H3,(H2,18,19,21)/p+1