[3-[[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C22H39N3O3+2 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O3/c1-6-28-20-13-17(7-8-19(20)26)14-25-11-9-18(10-12-25)21(27)23-15-22(2,3)16-24(4)5/h7-8,13,18,26H,6,9-12,14-16H2,1-5H3,(H,23,27)/p+2