2-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-chloranyl-phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-chloranyl-phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chloro-phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[(4-amino-1-piperidin-1-iumyl)methyl]-4-chlorophenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chlorophenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chloro-phenoxy]ethyl-dimethyl-ammonium Formula: C16H28ClN3O+2 MolecularWeight: 313.86602

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)N

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)N

InChI

InChI=1S/C16H26ClN3O/c1-19(2)9-10-21-16-4-3-14(17)11-13(16)12-20-7-5-15(18)6-8-20/h3-4,11,15H,5-10,12,18H2,1-2H3/p+2