N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: N-cyclopropyl-2-(4-phenylbutyl)-7-propyl-1,3-benzoxazol-3-ium-3-carboxamide Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC=C1)[N+](=C(O2)CCCCC3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CCCC1=C2C(=CC=C1)[N+](=C(O2)CCCCC3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H28N2O2/c1-2-9-19-13-8-14-21-23(19)28-22(26(21)24(27)25-20-16-17-20)15-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13-14,20H,2,6-7,9,12,15-17H2,1H3/p+1