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

Systemtic Name: 2-[[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C26H39N3O3+2 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N(CC[NH+](C)C)CC3=CC=CC=C3)O

InChI

InChI=1S/C26H37N3O3/c1-4-32-25-18-22(10-11-24(25)30)19-28-14-12-23(13-15-28)26(31)29(17-16-27(2)3)20-21-8-6-5-7-9-21/h5-11,18,23,30H,4,12-17,19-20H2,1-3H3/p+2