1-phenethyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-phenethyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-phenethyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-phenethyl-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-phenethyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-phenethyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H21N4S+ MolecularWeight: 301.42974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4S/c21-16(19-11-9-14-6-2-1-3-7-14)20-13-12-18-15-8-4-5-10-17-15/h1-8,10H,9,11-13H2,(H,17,18)(H2,19,20,21)/p+1