1-(2-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea

Systemtic Name: 1-(2-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-[[1-(m-tolylmethyl)piperidin-1-ium-4-yl]methyl]-3-(o-tolyl)urea CAS Name: 1-(2-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(2-methylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-[[1-(3-methylbenzyl)piperidin-1-ium-4-yl]methyl]-3-(o-tolyl)urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O/c1-17-6-5-8-20(14-17)16-25-12-10-19(11-13-25)15-23-22(26)24-21-9-4-3-7-18(21)2/h3-9,14,19H,10-13,15-16H2,1-2H3,(H2,23,24,26)/p+1