N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butyramide Formula: C23H31ClN3O2+ MolecularWeight: 416.96414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN3O2/c1-3-26-11-13-27(14-12-26)22-10-9-19(24)17-21(22)25-23(28)8-5-15-29-20-7-4-6-18(2)16-20/h4,6-7,9-10,16-17H,3,5,8,11-15H2,1-2H3,(H,25,28)/p+1