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

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

CC1CCC[NH+](C1)C(C[NH3+])C2=CC(=CC=C2)OCC[NH+](C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC(=CC=C2)OCC[NH+](C)C

InChI

InChI=1S/C18H31N3O/c1-15-6-5-9-21(14-15)18(13-19)16-7-4-8-17(12-16)22-11-10-20(2)3/h4,7-8,12,15,18H,5-6,9-11,13-14,19H2,1-3H3/p+3/t15-,18-/m0/s1