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

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(3-methylphenoxy)butyramide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H28ClN3O2/c1-17-5-3-6-19(15-17)28-14-4-7-22(27)24-20-16-18(23)8-9-21(20)26-12-10-25(2)11-13-26/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3,(H,24,27)/p+1