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

Systemtic Name: (2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]propionamide Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C18H24ClN3O3/c1-12(17(23)20-15-11-14(19)5-6-16(15)25-2)21-7-9-22(10-8-21)18(24)13-3-4-13/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,23)/p+1/t12-/m0/s1