methyl 6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate

Systemtic Name: methyl 6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate Openeye Name: methyl 6-[4-(p-tolyl)piperazin-1-ium-1-yl]hexanoate CAS Name: 6-[4-(4-methylphenyl)-1-piperazin-1-iumyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[4-(4-methylphenyl)piperazin-1-ium-1-yl]hexanoate Traditional Name: 6-[4-(p-tolyl)piperazin-1-ium-1-yl]hexanoic acid methyl ester Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCCCC(=O)OC

InChI

InChI=1S/C18H28N2O2/c1-16-7-9-17(10-8-16)20-14-12-19(13-15-20)11-5-3-4-6-18(21)22-2/h7-10H,3-6,11-15H2,1-2H3/p+1