(2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H25ClN4O2+2 MolecularWeight: 376.8804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23ClN4O2/c1-14(19(25)22-15-6-7-17(26-2)16(20)13-15)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+2/t14-/m1/s1