1-[(4-methoxyphenyl)methyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-p-anisyl-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C16H20N4OS/c1-21-14-7-5-13(6-8-14)12-20-16(22)19-11-10-18-15-4-2-3-9-17-15/h2-9H,10-12H2,1H3,(H,17,18)(H2,19,20,22)/p+1