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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-isopropylbenzyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Formula: C21H36N4OS+2 MolecularWeight: 392.60174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4OS/c1-18(2)20-5-3-19(4-6-20)17-24-9-11-25(12-10-24)21(27)22-7-8-23-13-15-26-16-14-23/h3-6,18H,7-17H2,1-2H3,(H,22,27)/p+2