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

Systemtic Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide Openeye Name: 3-[1-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propanamide iodide CAS Name: 3-[1-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide iodide IUPAC Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide Traditional Name: 3-[1-methyl-4-(m-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(=CC=C1)N2CC[N+](CC2)(C)CCC(=O)N.[I-]

Isomeric SMILES

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

InChI

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