(3S)-1-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium

Systemtic Name: (3S)-1-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Openeye Name: (3S)-3-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium CAS Name: (3S)-1-[(5-methyl-2-furanyl)methyl]-3-[4-methyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: (3S)-1-[(5-methylfuran-2-yl)methyl]-3-(4-methyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-ium Traditional Name: (3S)-3-[5-(allylthio)-4-methyl-1,2,4-triazol-3-yl]-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)C3=NN=C(N3C)SCC=C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C3=NN=C(N3C)SCC=C

InChI

InChI=1S/C17H24N4OS/c1-4-10-23-17-19-18-16(20(17)3)14-6-5-9-21(11-14)12-15-8-7-13(2)22-15/h4,7-8,14H,1,5-6,9-12H2,2-3H3/p+1/t14-/m0/s1