N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-5-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1)C3=CC=CC=C3)[N+](=C(O2)CC)C(=O)NC4CC4

Isomeric SMILES

CCCC1=C2C(=CC(=C1)C3=CC=CC=C3)[N+](=C(O2)CC)C(=O)NC4CC4

InChI

InChI=1S/C22H24N2O2/c1-3-8-16-13-17(15-9-6-5-7-10-15)14-19-21(16)26-20(4-2)24(19)22(25)23-18-11-12-18/h5-7,9-10,13-14,18H,3-4,8,11-12H2,1-2H3/p+1