2-[4-[(8-butyl-6-oxidanylidene-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(8-butyl-6-oxidanylidene-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(8-butyl-6-oxo-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(8-butyl-6-oxo-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(8-butyl-6-oxo-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(8-butyl-6-keto-9-aza-7-azoniaspiro[4.4]non-7-en-7-yl)methyl]phenyl]benzonitrile Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=O)C2(N1)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=[N+](C(=O)C2(N1)CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3/p+1