4-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-methoxyphenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-methoxyphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-p-anisyl-piperazin-4-ium-1-carbothioamide Formula: C19H32N4O2S+2 MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O2S/c1-24-18-4-2-17(3-5-18)16-22-8-10-23(11-9-22)19(26)20-6-7-21-12-14-25-15-13-21/h2-5H,6-16H2,1H3,(H,20,26)/p+2