1-(3-chloranyl-2-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Formula: C17H27ClN3S+ MolecularWeight: 340.93438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C17H26ClN3S/c1-13-7-11-21(12-8-13)10-4-9-19-17(22)20-16-6-3-5-15(18)14(16)2/h3,5-6,13H,4,7-12H2,1-2H3,(H2,19,20,22)/p+1