3-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-methanoyl-3-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-formyl-3-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-formyl-3-methylphenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-formyl-3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-formyl-3-methyl-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)CCC#N)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)CCC#N)C=O

InChI

InChI=1S/C15H19N3O/c1-13-11-15(4-3-14(13)12-19)18-9-7-17(8-10-18)6-2-5-16/h3-4,11-12H,2,6-10H2,1H3/p+1