N'-(3-chloranyl-4-methoxy-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-chloranyl-4-methoxy-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(3-chloro-4-methoxy-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(3-chloro-4-methoxyphenyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-chloro-4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(3-chloro-4-methoxy-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-12(2)22-8-6-13(7-9-22)11-20-17(23)18(24)21-14-4-5-16(25-3)15(19)10-14/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,20,23)(H,21,24)/p+1