N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(4-methoxyphenoxy)butanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methoxyphenoxy)butanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methoxyphenoxy)butyramide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28ClN3O3/c1-25-11-13-26(14-12-25)21-10-5-17(23)16-20(21)24-22(27)4-3-15-29-19-8-6-18(28-2)7-9-19/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27)/p+1