3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide

Systemtic Name: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide Openeye Name: 3-[1-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]propanamide iodide CAS Name: 3-[1-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]propanamide iodide IUPAC Name: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide Traditional Name: 3-[1-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]propionamide iodide Formula: C15H24IN3O MolecularWeight: 389.27503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[N+](CC2)(C)CCC(=O)N.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[N+](CC2)(C)CCC(=O)N.[I-]

InChI

InChI=1S/C15H23N3O.HI/c1-13-3-5-14(6-4-13)17-8-11-18(2,12-9-17)10-7-15(16)19;/h3-6H,7-12H2,1-2H3,(H-,16,19);1H