1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiourea Formula: C22H29ClN3S+ MolecularWeight: 403.00376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H28ClN3S/c1-16-12-17(2)21(20(23)13-16)25-22(27)24-14-18-6-8-19(9-7-18)15-26-10-4-3-5-11-26/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,25,27)/p+1