[1-[2-cyclopentyl-2-(3-hydroxyphenyl)-2-oxidanyl-ethanoyl]piperidin-4-yl]-dimethyl-phenethyl-azanium

Systemtic Name: [1-[2-cyclopentyl-2-(3-hydroxyphenyl)-2-oxidanyl-ethanoyl]piperidin-4-yl]-dimethyl-phenethyl-azanium Openeye Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-hydroxyphenyl)acetyl]-4-piperidyl]-dimethyl-phenethyl-ammonium CAS Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-hydroxyphenyl)-1-oxoethyl]-4-piperidinyl]-dimethyl-phenethylammonium IUPAC Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-hydroxyphenyl)acetyl]piperidin-4-yl]-dimethyl-phenethylazanium Traditional Name: [1-[2-cyclopentyl-2-hydroxy-2-(3-hydroxyphenyl)acetyl]-4-piperidyl]-dimethyl-phenethyl-ammonium Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC(=CC=C4)O)O

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1)C2CCN(CC2)C(=O)C(C3CCCC3)(C4=CC(=CC=C4)O)O

InChI

InChI=1S/C28H38N2O3/c1-30(2,20-17-22-9-4-3-5-10-22)25-15-18-29(19-16-25)27(32)28(33,23-11-6-7-12-23)24-13-8-14-26(31)21-24/h3-5,8-10,13-14,21,23,25,33H,6-7,11-12,15-20H2,1-2H3/p+1