5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C22H29N5S+2 MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N5S/c1-3-11-26-18(2)23-27(22(26)28)17-25-14-12-24(13-15-25)16-20-9-6-8-19-7-4-5-10-21(19)20/h3-10H,1,11-17H2,2H3/p+2