(2R)-N-(2-chloranylpyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranylpyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-3-pyridyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-3-pyridinyl)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloropyridin-3-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-3-pyridyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H22ClN4O2+ MolecularWeight: 361.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H21ClN4O2/c1-13(18(25)21-16-3-2-8-20-17(16)19)22-9-11-23(12-10-22)14-4-6-15(24)7-5-14/h2-8,13,24H,9-12H2,1H3,(H,21,25)/p+1/t13-/m1/s1