4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCCC#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CCCC#N

InChI

InChI=1S/C15H21N3O/c1-19-15-6-4-5-14(13-15)18-11-9-17(10-12-18)8-3-2-7-16/h4-6,13H,2-3,8-12H2,1H3/p+1