N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(2,5-dimethylphenoxy)propanamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propanamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2,5-dimethylphenoxy)propionamide 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)CCOC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCOC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H30ClN3O2/c1-4-26-10-12-27(13-11-26)21-8-7-19(24)16-20(21)25-23(28)9-14-29-22-15-17(2)5-6-18(22)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,25,28)/p+1