2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)piperidin-1-ium-4-ol

Systemtic Name: 2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)piperidin-1-ium-4-ol Openeye Name: 2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)piperidin-1-ium-4-ol CAS Name: 2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)-4-piperidin-1-iumol IUPAC Name: 2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)piperidin-1-ium-4-ol Traditional Name: 2-(4-butoxyphenyl)-2-ethyl-1-(methylamino)-1-(2-phenoxyethyl)piperidin-1-ium-4-ol Formula: C26H39N2O3+ MolecularWeight: 427.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2(CC(CC[N+]2(CCOC3=CC=CC=C3)NC)O)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2(CC(CC[N+]2(CCOC3=CC=CC=C3)NC)O)CC

InChI

InChI=1S/C26H39N2O3/c1-4-6-19-30-25-14-12-22(13-15-25)26(5-2)21-23(29)16-17-28(26,27-3)18-20-31-24-10-8-7-9-11-24/h7-15,23,27,29H,4-6,16-21H2,1-3H3/q+1