N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-methyl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-methyl-benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-methylbenzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-methylbenzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-methyl-benzamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C21H27N3O/c1-4-23-10-12-24(13-11-23)19-8-9-20(17(3)15-19)22-21(25)18-7-5-6-16(2)14-18/h5-9,14-15H,4,10-13H2,1-3H3,(H,22,25)/p+1