[4-(2-methylpropoxy)phenyl]-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: [4-(2-methylpropoxy)phenyl]-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: (4-isobutoxyphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: [4-(2-methylpropoxy)phenyl]-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [4-(2-methylpropoxy)phenyl]-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: (4-isobutoxyphenyl)-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]methanone Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CCCCC2CC[NH+]3CCCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3

InChI

InChI=1S/C23H36N2O2/c1-19(2)18-27-22-11-9-20(10-12-22)23(26)25-16-7-4-8-21(25)13-17-24-14-5-3-6-15-24/h9-12,19,21H,3-8,13-18H2,1-2H3/p+1/t21-/m0/s1