N-(4-chloranyl-2-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23ClN3OS+ MolecularWeight: 364.91272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C18H22ClN3OS/c1-14-10-16(19)2-3-17(14)20-18(23)12-22-7-5-21(6-8-22)11-15-4-9-24-13-15/h2-4,9-10,13H,5-8,11-12H2,1H3,(H,20,23)/p+1