3-[2-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(1R)-2-ammonio-1-(4-methyl-1-piperazin-4-iumyl)ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(1R)-2-ammonio-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium Formula: C18H35N4O+3 MolecularWeight: 323.4967

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C[NH3+])C2=CC=CC=C2OCCC[NH+](C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C[NH3+])C2=CC=CC=C2OCCC[NH+](C)C

InChI

InChI=1S/C18H32N4O/c1-20(2)9-6-14-23-18-8-5-4-7-16(18)17(15-19)22-12-10-21(3)11-13-22/h4-5,7-8,17H,6,9-15,19H2,1-3H3/p+3/t17-/m0/s1