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

Systemtic Name: 2-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]ethylazanium Openeye Name: 2-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]ethylammonium CAS Name: 2-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]ethylammonium IUPAC Name: 2-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]ethylazanium Traditional Name: 2-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]ethylammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-15-5-2-3-6-16(15)7-4-9-18-11-13-19(10-8-17)14-12-18/h2-3,5-6H,4,7-14,17H2,1H3/p+2