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

Systemtic Name: 1-(phenylmethyl)-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-benzyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-(phenylmethyl)-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-benzyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-benzyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C15H19N4S+ MolecularWeight: 287.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4S/c20-15(19-12-13-6-2-1-3-7-13)18-11-10-17-14-8-4-5-9-16-14/h1-9H,10-12H2,(H,16,17)(H2,18,19,20)/p+1