2-[4-[3-(4-azaniumylpiperidin-1-yl)-3-oxidanylidene-propyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[3-(4-azaniumylpiperidin-1-yl)-3-oxidanylidene-propyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[4-[3-(4-azaniumyl-1-piperidyl)-3-oxo-propyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[4-[3-(4-ammonio-1-piperidinyl)-3-oxopropyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[4-[3-(4-azaniumylpiperidin-1-yl)-3-oxopropyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[4-[3-(4-ammoniopiperidino)-3-keto-propyl]phenoxy]ethyl-dimethyl-ammonium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)CCC(=O)N2CCC(CC2)[NH3+]

InChI

InChI=1S/C18H29N3O2/c1-20(2)13-14-23-17-6-3-15(4-7-17)5-8-18(22)21-11-9-16(19)10-12-21/h3-4,6-7,16H,5,8-14,19H2,1-2H3/p+2