1-(4-propan-2-ylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(4-propan-2-ylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(4-propan-2-ylphenyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-(4-propan-2-ylphenyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-p-cumenyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C17H23N4S+ MolecularWeight: 315.45632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C17H22N4S/c1-13(2)14-6-8-15(9-7-14)21-17(22)20-12-11-19-16-5-3-4-10-18-16/h3-10,13H,11-12H2,1-2H3,(H,18,19)(H2,20,21,22)/p+1