(3-propan-2-yloxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]methanone Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C23H36N2O2/c1-4-12-24-14-10-21(11-15-24)25-13-6-8-20(17-25)23(26)19-7-5-9-22(16-19)27-18(2)3/h5,7,9,16,18,20-21H,4,6,8,10-15,17H2,1-3H3/p+1/t20-/m0/s1