4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methoxyphenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-m-anisyl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C19H23N4O3S+ MolecularWeight: 387.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c1-26-18-4-2-3-15(13-18)14-21-9-11-22(12-10-21)19(27)20-16-5-7-17(8-6-16)23(24)25/h2-8,13H,9-12,14H2,1H3,(H,20,27)/p+1