N-cyclopropyl-2-ethyl-6-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-ethyl-6-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-ethyl-6-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-ethyl-6-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-ethyl-6-phenyl-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-ethyl-6-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=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=[N+]2C(=O)NC3CC3)CC)C4=CC=CC=C4

InChI

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