1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea

Systemtic Name: 1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Openeye Name: 1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea CAS Name: 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridin-1-iumyl)amino]ethyl]thiourea IUPAC Name: 1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Traditional Name: 1-(4-methoxyphenyl)-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]thiourea Formula: C15H18N5O3S+ MolecularWeight: 348.40012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCCNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S/c1-23-13-5-2-11(3-6-13)19-15(24)17-9-8-16-14-7-4-12(10-18-14)20(21)22/h2-7,10H,8-9H2,1H3,(H,16,18)(H2,17,19,24)/p+1