1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanethione CAS Name: 1,3-benzodioxol-5-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanethione Traditional Name: 1,3-benzodioxol-5-yl-(4-benzylpiperazin-4-ium-1-yl)methanethione Formula: C19H21N2O2S+ MolecularWeight: 341.44724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O2S/c24-19(16-6-7-17-18(12-16)23-14-22-17)21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+1