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

Systemtic Name: 3-[3-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[(1R)-2-ammonio-1-(4-methyl-1-piperazin-4-iumyl)ethyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[(1R)-2-azaniumyl-1-(4-methylpiperazin-4-ium-1-yl)ethyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[(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=C2)OCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O/c1-20(2)8-5-13-23-17-7-4-6-16(14-17)18(15-19)22-11-9-21(3)10-12-22/h4,6-7,14,18H,5,8-13,15,19H2,1-3H3/p+3/t18-/m0/s1