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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-propyl-piperazin-4-ium-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-propylpiperazin-4-ium-1-carbothioamide Traditional Name: N-p-anisyl-4-propyl-piperazin-4-ium-1-carbothioamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H25N3OS/c1-3-8-18-9-11-19(12-10-18)16(21)17-13-14-4-6-15(20-2)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,17,21)/p+1