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

Systemtic Name: phenyl sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Openeye Name: phenyl sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide CAS Name: phenyl sulfate; 2-[4-[(3S)-3-piperidin-1-iumyl]phenyl]-7-indazolecarboxamide IUPAC Name: phenyl sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Traditional Name: phenyl sulfate; 2-[4-[(3S)-piperidin-1-ium-3-yl]phenyl]indazole-7-carboxamide Formula: C25H26N4O5S MolecularWeight: 494.56274

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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.C1=CC=C(C=C1)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.C1=CC=C(C=C1)OS(=O)(=O)[O-]

InChI

InChI=1S/C19H20N4O.C6H6O4S/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;7-11(8,9)10-6-4-2-1-3-5-6/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);1-5H,(H,7,8,9)/t14-;/m1./s1