1-(3-chloranyl-4-methyl-phenyl)-3-(2-methyl-2-piperidin-1-ium-1-yl-propyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(C)(C)[NH+]2CCCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC(C)(C)[NH+]2CCCCC2)Cl

InChI

InChI=1S/C17H26ClN3S/c1-13-7-8-14(11-15(13)18)20-16(22)19-12-17(2,3)21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12H2,1-3H3,(H2,19,20,22)/p+1