2-chloranyl-6-[[4-(4-phenylbutyl)morpholin-4-ium-2-yl]methoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[[4-(4-phenylbutyl)morpholin-4-ium-2-yl]methoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[[4-(4-phenylbutyl)morpholin-4-ium-2-yl]methoxy]benzonitrile CAS Name: 2-chloro-6-[[4-(4-phenylbutyl)-2-morpholin-4-iumyl]methoxy]benzonitrile IUPAC Name: 2-chloro-6-[[4-(4-phenylbutyl)morpholin-4-ium-2-yl]methoxy]benzonitrile Traditional Name: 2-chloro-6-[[4-(4-phenylbutyl)morpholin-4-ium-2-yl]methoxy]benzonitrile Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CCCCC2=CC=CC=C2)COC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

C1COC(C[NH+]1CCCCC2=CC=CC=C2)COC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C22H25ClN2O2/c23-21-10-6-11-22(20(21)15-24)27-17-19-16-25(13-14-26-19)12-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-11,19H,4-5,9,12-14,16-17H2/p+1