3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-5-methoxy-phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(4-azanylpiperidin-1-ium-1-yl)methyl]-5-methoxy-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-5-methoxy-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-[(4-amino-1-piperidin-1-iumyl)methyl]-5-methoxyphenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-5-methoxyphenoxy]propyl-dimethylazanium Traditional Name: 3-[2-[(4-aminopiperidin-1-ium-1-yl)methyl]-5-methoxy-phenoxy]propyl-dimethyl-ammonium Formula: C18H33N3O2+2 MolecularWeight: 323.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O2/c1-20(2)9-4-12-23-18-13-17(22-3)6-5-15(18)14-21-10-7-16(19)8-11-21/h5-6,13,16H,4,7-12,14,19H2,1-3H3/p+2