1-(4-chlorophenyl)-5-(4-morpholin-4-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-5-(4-morpholin-4-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(4-chlorophenyl)-5-(4-morpholinobutyl)-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(4-chlorophenyl)-5-[4-(4-morpholinyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-5-(4-morpholin-4-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(4-chlorophenyl)-5-(4-morpholinobutyl)-1,2,4-triazol-1-ium-1-carbonitrile Formula: C17H21ClN5O+ MolecularWeight: 346.83454

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCCN1CCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN5O/c18-15-4-6-16(7-5-15)23(13-19)17(20-14-21-23)3-1-2-8-22-9-11-24-12-10-22/h4-7,14H,1-3,8-12H2/q+1