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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-isopropyl-piperidin-1-ium-4-carboxamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O2/c1-15(2)25-13-11-16(12-14-25)21(26)23-18-9-7-17(8-10-18)22-24-19-5-3-4-6-20(19)27-22/h3-10,15-16H,11-14H2,1-2H3,(H,23,26)/p+1