hydrogen sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide

Systemtic Name: hydrogen sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Openeye Name: hydrogen sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide CAS Name: hydrogen sulfate; 2-[4-[(3S)-3-piperidin-1-iumyl]phenyl]-7-indazolecarboxamide IUPAC Name: hydrogen sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Traditional Name: 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide bisulfate Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.OS(=O)(=O)[O-]

Isomeric SMILES

C1C[C@H](C[NH2+]C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H20N4O.H2O4S/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-5(2,3)4/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);(H2,1,2,3,4)/t14-;/m1./s1