(1R)-1-phenyl-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanol

Systemtic Name: (1R)-1-phenyl-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanol Openeye Name: (1R)-1-phenyl-2-[[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]amino]ethanol CAS Name: (1R)-1-phenyl-2-[[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]amino]ethanol IUPAC Name: (1R)-1-phenyl-2-[(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanol Traditional Name: (1R)-1-phenyl-2-[(5-piperidinosulfonylpyridin-1-ium-2-yl)amino]ethanol Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(C3=CC=CC=C3)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NC[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C18H23N3O3S/c22-17(15-7-3-1-4-8-15)14-20-18-10-9-16(13-19-18)25(23,24)21-11-5-2-6-12-21/h1,3-4,7-10,13,17,22H,2,5-6,11-12,14H2,(H,19,20)/p+1/t17-/m0/s1