1-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-phenyl-urea

Systemtic Name: 1-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-phenyl-urea Openeye Name: 1-phenyl-3-[[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-[[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-phenylurea IUPAC Name: 1-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-phenylurea Traditional Name: 1-[[1-(4-methylbenzyl)piperidin-1-ium-4-yl]methyl]-3-phenyl-urea Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-7-9-19(10-8-17)16-24-13-11-18(12-14-24)15-22-21(25)23-20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H2,22,23,25)/p+1