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

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-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=CC(=C(C=C2)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3S/c1-13-6-10-21(11-7-13)9-3-8-19-17(22)20-15-5-4-14(2)16(18)12-15/h4-5,12-13H,3,6-11H2,1-2H3,(H2,19,20,22)/p+1