2-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-[(1S)-2-ammonio-1-(4-methyl-1-piperidin-1-iumyl)ethyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[(1S)-2-azaniumyl-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[3-[(1S)-2-ammonio-1-(4-methylpiperidin-1-ium-1-yl)ethyl]phenoxy]ethyl-dimethyl-ammonium Formula: C18H34N3O+3 MolecularWeight: 308.48206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=CC(=CC=C2)OCC[NH+](C)C

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C[NH3+])C2=CC(=CC=C2)OCC[NH+](C)C

InChI

InChI=1S/C18H31N3O/c1-15-7-9-21(10-8-15)18(14-19)16-5-4-6-17(13-16)22-12-11-20(2)3/h4-6,13,15,18H,7-12,14,19H2,1-3H3/p+3/t18-/m1/s1