N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2,6-bis(chloranyl)-3-methyl-phenyl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,6-dichloro-3-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dichloro-3-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C21H26Cl2N3O+ MolecularWeight: 407.35664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25Cl2N3O/c1-16-7-8-18(22)21(20(16)23)24-19(27)15-26-13-11-25(12-14-26)10-9-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3,(H,24,27)/p+1