[(5S)-1-methyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enyl-azanium

Systemtic Name: [(5S)-1-methyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5S)-1-methyl-3-[(5-methyl-2-furyl)methylcarbamoyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5S)-1-methyl-3-[[(5-methyl-2-furanyl)methylamino]-oxomethyl]-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylammonium IUPAC Name: [(5S)-1-methyl-3-[(5-methylfuran-2-yl)methylcarbamoyl]-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylazanium Traditional Name: allyl-[(5S)-1-methyl-3-[(5-methyl-2-furyl)methylcarbamoyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=NN(C3=C2CC(CC3)[NH2+]CC=C)C

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=NN(C3=C2C[C@H](CC3)[NH2+]CC=C)C

InChI

InChI=1S/C18H24N4O2/c1-4-9-19-13-6-8-16-15(10-13)17(21-22(16)3)18(23)20-11-14-7-5-12(2)24-14/h4-5,7,13,19H,1,6,8-11H2,2-3H3,(H,20,23)/p+1/t13-/m0/s1