5-(5-methylfuran-2-yl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(5-methylfuran-2-yl)-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1,2,4-triazin-3-amine Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-(5-methyl-2-furyl)-1,2,4-triazin-3-amine CAS Name: 5-(5-methyl-2-furanyl)-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1,2,4-triazin-3-amine IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-(5-methylfuran-2-yl)-1,2,4-triazin-3-amine Traditional Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-[5-(5-methyl-2-furyl)-1,2,4-triazin-3-yl]amine Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CN=NC(=N2)NC3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=CN=NC(=N2)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5O/c1-15-9-10-19(26-15)18-12-21-24-20(23-18)22-17-8-5-11-25(14-17)13-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,22,23,24)/p+1/t17-/m0/s1