3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]propylammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CCC[NH3+]

InChI

InChI=1S/C15H25N3/c1-14-5-2-3-6-15(14)13-18-11-9-17(10-12-18)8-4-7-16/h2-3,5-6H,4,7-13,16H2,1H3/p+2