1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]thiourea Formula: C18H29ClN3S+ MolecularWeight: 354.96096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C18H28ClN3S/c1-13-11-14(2)17(16(19)12-13)21-18(23)20-8-6-10-22-9-5-4-7-15(22)3/h11-12,15H,4-10H2,1-3H3,(H2,20,21,23)/p+1/t15-/m0/s1