4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-[[2-(2-methoxyphenyl)-1-piperazinyl]methyl]-3-methyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-allyl-4-[[2-(2-methoxyphenyl)piperazino]methyl]-3-methyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)[N+]1(CC=C)CN2CCNCC2C3=CC=CC=C3OC

Isomeric SMILES

CC1=NNC(=S)[N+]1(CC=C)CN2CCNCC2C3=CC=CC=C3OC

InChI

InChI=1S/C18H25N5OS/c1-4-11-23(14(2)20-21-18(23)25)13-22-10-9-19-12-16(22)15-7-5-6-8-17(15)24-3/h4-8,16,19H,1,9-13H2,2-3H3/p+1