1-(2-methylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(o-tolyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-methylphenyl)-3-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(o-tolyl)-3-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C21H28N3S+ MolecularWeight: 354.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3S/c1-17-9-3-6-12-20(17)23-21(25)22-15-18-10-4-5-11-19(18)16-24-13-7-2-8-14-24/h3-6,9-12H,2,7-8,13-16H2,1H3,(H2,22,23,25)/p+1