4-(4-chloranyl-2-methyl-phenoxy)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCCOC3=C(C=C(C=C3)Cl)C

InChI

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