N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N5O2/c1-28-15-17(14-25-28)16-29-12-10-18(11-13-29)23(30)26-20-8-6-19(7-9-20)24-27-21-4-2-3-5-22(21)31-24/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,30)/p+1