3-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(2-methylphenoxy)ethyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1OCCN2CC[NH+](CC2)CCC[NH3+]

InChI

InChI=1S/C16H27N3O/c1-15-5-2-3-6-16(15)20-14-13-19-11-9-18(10-12-19)8-4-7-17/h2-3,5-6H,4,7-14,17H2,1H3/p+2