3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-6-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-6-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(4-amino-1-piperidin-1-iumyl)methyl]-6-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-6-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC=C1OC)C[NH+]2CCC(CC2)N

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC=C1OC)C[NH+]2CCC(CC2)N

InChI

InChI=1S/C18H31N3O2/c1-20(2)10-5-13-23-18-15(6-4-7-17(18)22-3)14-21-11-8-16(19)9-12-21/h4,6-7,16H,5,8-14,19H2,1-3H3/p+2