(2S)-1-[(1R)-1-phenylpropoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[(1R)-1-phenylpropoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[(1R)-1-phenylpropoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[(1R)-1-phenylpropoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(1R)-1-phenylpropoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[(1R)-1-phenylpropoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C17H27NO2/c1-2-17(15-9-5-3-6-10-15)20-14-16(19)13-18-11-7-4-8-12-18/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3/p+1/t16-,17+/m0/s1