N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-pentoxy-benzamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-pentoxy-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-pentoxy-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]benzamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C19H29N3O3S/c1-2-3-4-15-25-17-7-5-16(6-8-17)18(24)20-19(26)22-11-9-21(10-12-22)13-14-23/h5-8,23H,2-4,9-15H2,1H3,(H,20,24,26)/p+1