2-[3-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C)O

InChI

InChI=1S/C21H35N3O3/c1-4-27-20-15-18(5-7-19(20)25)16-24-12-9-17(10-13-24)6-8-21(26)22-11-14-23(2)3/h5,7,15,17,25H,4,6,8-14,16H2,1-3H3,(H,22,26)/p+2