[4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: [4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: [4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione CAS Name: [4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: [4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Traditional Name: [4-(diethylamino)phenyl]-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C17H27N3OS/c1-3-19(4-2)16-7-5-15(6-8-16)17(22)20-11-9-18(10-12-20)13-14-21/h5-8,21H,3-4,9-14H2,1-2H3/p+1