[(2R)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone

Systemtic Name: [(2R)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Openeye Name: [(2R)-2-(hydroxymethyl)-1-piperidyl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone CAS Name: [(2R)-2-(hydroxymethyl)-1-piperidinyl]-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methanone IUPAC Name: [(2R)-2-(hydroxymethyl)piperidin-1-yl]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Traditional Name: [(2R)-2-methylolpiperidino]-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)CO)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3/c29-20-23-8-4-5-16-28(23)26(30)22-9-11-24(12-10-22)31-25-14-18-27(19-15-25)17-13-21-6-2-1-3-7-21/h1-3,6-7,9-12,23,25,29H,4-5,8,13-20H2/p+1/t23-/m1/s1