5-(3-ethoxypropylamino)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(3-ethoxypropylamino)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-ethoxypropylamino)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-ethoxypropylamino)-3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-ethoxypropylamino)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(3-ethoxypropylamino)-3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C17H28N6OS2+2 MolecularWeight: 396.57382

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C17H26N6OS2/c1-2-24-13-3-6-19-16-20-23(17(25)26-16)14-21-9-11-22(12-10-21)15-4-7-18-8-5-15/h4-5,7-8H,2-3,6,9-14H2,1H3,(H,19,20)/p+2