(2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C19H24ClN4O2+ MolecularWeight: 375.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H23ClN4O2/c1-14(19(25)22-16-13-15(20)6-7-17(16)26-2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1