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

Systemtic Name: 1-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-[[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-benzyl-3-[[1-(4-methylbenzyl)piperidin-1-ium-4-yl]methyl]urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-7-9-21(10-8-18)17-25-13-11-20(12-14-25)16-24-22(26)23-15-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H2,23,24,26)/p+1