3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-chloranyl-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-4-chloranyl-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chloro-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(4-amino-1-piperidin-1-iumyl)methyl]-4-chlorophenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chlorophenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-4-chloro-phenoxy]propyl-dimethyl-ammonium Formula: C17H30ClN3O+2 MolecularWeight: 327.8926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)N

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1)Cl)C[NH+]2CCC(CC2)N

InChI

InChI=1S/C17H28ClN3O/c1-20(2)8-3-11-22-17-5-4-15(18)12-14(17)13-21-9-6-16(19)7-10-21/h4-5,12,16H,3,6-11,13,19H2,1-2H3/p+2