1-(2,5-dimethylphenyl)-3-(2-methyl-2-piperidin-1-ium-1-yl-propyl)thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-(2-methyl-2-piperidin-1-ium-1-yl-propyl)thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-(2-methyl-2-piperidin-1-ium-1-yl-propyl)thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[2-methyl-2-(1-piperidin-1-iumyl)propyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-(2-methyl-2-piperidin-1-ium-1-ylpropyl)thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-(2-methyl-2-piperidin-1-ium-1-yl-propyl)thiourea Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3S/c1-14-8-9-15(2)16(12-14)20-17(22)19-13-18(3,4)21-10-6-5-7-11-21/h8-9,12H,5-7,10-11,13H2,1-4H3,(H2,19,20,22)/p+1