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

Systemtic Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C26H24N3O+ MolecularWeight: 394.48826

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)CC4=CC=C(C=C4)C5=CC=CC=C5C#N

InChI

InChI=1S/C26H23N3O/c27-17-22-5-1-2-6-23(22)20-11-9-19(10-12-20)18-29-15-13-21(14-16-29)26-28-24-7-3-4-8-25(24)30-26/h1-12,21H,13-16,18H2/p+1