4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyrate Formula: C15H22N2O3 MolecularWeight: 278.34678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCC(=O)[O-]

InChI

InChI=1S/C15H22N2O3/c1-20-14-6-4-13(5-7-14)17-11-9-16(10-12-17)8-2-3-15(18)19/h4-7H,2-3,8-12H2,1H3,(H,18,19)