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

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-thienyl)butanamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-thienyl)butyramide Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H24ClN3OS/c1-22-9-11-23(12-10-22)18-8-7-15(20)14-17(18)21-19(24)6-2-4-16-5-3-13-25-16/h3,5,7-8,13-14H,2,4,6,9-12H2,1H3,(H,21,24)/p+1