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

Systemtic Name: 3-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[2-(3-methylphenoxy)ethyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-(3-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=C1)OCCN2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2CC[NH+](CC2)CCC[NH3+]

InChI

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