7-[4-(3-methylphenyl)piperazin-1-ium-1-yl]heptylazanium

Systemtic Name: 7-[4-(3-methylphenyl)piperazin-1-ium-1-yl]heptylazanium Openeye Name: 7-[4-(m-tolyl)piperazin-1-ium-1-yl]heptylammonium CAS Name: 7-[4-(3-methylphenyl)-1-piperazin-1-iumyl]heptylammonium IUPAC Name: 7-[4-(3-methylphenyl)piperazin-1-ium-1-yl]heptylazanium Traditional Name: 7-[4-(m-tolyl)piperazin-1-ium-1-yl]heptylammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCCCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCCCCC[NH3+]

InChI

InChI=1S/C18H31N3/c1-17-8-7-9-18(16-17)21-14-12-20(13-15-21)11-6-4-2-3-5-10-19/h7-9,16H,2-6,10-15,19H2,1H3/p+2