7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide

Systemtic Name: 7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide Openeye Name: 7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide CAS Name: 7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide IUPAC Name: 7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide Traditional Name: 7-[3-(ethylamino)propyl]-2-(4-phenylbutyl)-1,3-benzoxazol-3-ium-3-carboxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCCC1=C2C(=CC=C1)[N+](=C(O2)CCCCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCNCCCC1=C2C(=CC=C1)[N+](=C(O2)CCCCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H29N3O2/c1-2-25-17-9-14-19-13-8-15-20-22(19)28-21(26(20)23(24)27)16-7-6-12-18-10-4-3-5-11-18/h3-5,8,10-11,13,15,25H,2,6-7,9,12,14,16-17H2,1H3,(H-,24,27)/p+1