4-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C20H34N4OS+2 MolecularWeight: 378.57516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H32N4OS/c1-18-4-2-5-19(16-18)17-23-8-10-24(11-9-23)20(26)21-6-3-7-22-12-14-25-15-13-22/h2,4-5,16H,3,6-15,17H2,1H3,(H,21,26)/p+2