(3S)-3-(2-hydroxyphenyl)-3-piperidin-1-ium-1-yl-1-piperidin-1-yl-propan-1-one

Systemtic Name: (3S)-3-(2-hydroxyphenyl)-3-piperidin-1-ium-1-yl-1-piperidin-1-yl-propan-1-one Openeye Name: (3S)-3-(2-hydroxyphenyl)-3-piperidin-1-ium-1-yl-1-(1-piperidyl)propan-1-one CAS Name: (3S)-3-(2-hydroxyphenyl)-3-(1-piperidin-1-iumyl)-1-(1-piperidinyl)-1-propanone IUPAC Name: (3S)-3-(2-hydroxyphenyl)-3-piperidin-1-ium-1-yl-1-piperidin-1-ylpropan-1-one Traditional Name: (3S)-3-(2-hydroxyphenyl)-3-piperidin-1-ium-1-yl-1-piperidino-propan-1-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CC(=O)N2CCCCC2)C3=CC=CC=C3O

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CC(=O)N2CCCCC2)C3=CC=CC=C3O

InChI

InChI=1S/C19H28N2O2/c22-18-10-4-3-9-16(18)17(20-11-5-1-6-12-20)15-19(23)21-13-7-2-8-14-21/h3-4,9-10,17,22H,1-2,5-8,11-15H2/p+1/t17-/m0/s1