N-(3-morpholin-4-ium-4-ylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-isopropylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C22H38N4OS+2 MolecularWeight: 406.62832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4OS/c1-19(2)21-6-4-20(5-7-21)18-25-10-12-26(13-11-25)22(28)23-8-3-9-24-14-16-27-17-15-24/h4-7,19H,3,8-18H2,1-2H3,(H,23,28)/p+2