N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC(=NN1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

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