3-(2,3-dimethylphenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea

Systemtic Name: 3-(2,3-dimethylphenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Openeye Name: 3-(2,3-dimethylphenyl)-1-isopropyl-1-(2-pyridin-1-ium-4-ylethyl)thiourea CAS Name: 3-(2,3-dimethylphenyl)-1-propan-2-yl-1-[2-(4-pyridin-1-iumyl)ethyl]thiourea IUPAC Name: 3-(2,3-dimethylphenyl)-1-propan-2-yl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Traditional Name: 3-(2,3-dimethylphenyl)-1-isopropyl-1-(2-pyridin-1-ium-4-ylethyl)thiourea Formula: C19H26N3S+ MolecularWeight: 328.49484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N(CCC2=CC=[NH+]C=C2)C(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N(CCC2=CC=[NH+]C=C2)C(C)C)C

InChI

InChI=1S/C19H25N3S/c1-14(2)22(13-10-17-8-11-20-12-9-17)19(23)21-18-7-5-6-15(3)16(18)4/h5-9,11-12,14H,10,13H2,1-4H3,(H,21,23)/p+1