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

Systemtic Name: 3-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]propylammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)CCC[NH3+]

InChI

InChI=1S/C17H29N3/c1-16-6-2-3-7-17(16)8-4-10-19-12-14-20(15-13-19)11-5-9-18/h2-3,6-7H,4-5,8-15,18H2,1H3/p+2