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

Systemtic Name: 3-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[3-(m-tolyl)propyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[3-(3-methylphenyl)propyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[3-(m-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=C1)CCC[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)CCC[NH+]2CCN(CC2)CCC[NH3+]

InChI

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