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

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCCCCCC2

InChI

InChI=1S/C17H25ClN2O2/c1-13(20-10-6-4-3-5-7-11-20)17(21)19-14-8-9-16(22-2)15(18)12-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,19,21)/p+1/t13-/m1/s1