(3-propan-2-yloxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-propan-2-yloxyphenyl)-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-16(2)25-20-9-3-7-18(12-20)21(24)19-8-5-11-23(15-19)14-17-6-4-10-22-13-17/h3-4,6-7,9-10,12-13,16,19H,5,8,11,14-15H2,1-2H3/p+1/t19-/m0/s1