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

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-methoxy-3-methyl-benzamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-4-24-10-12-25(13-11-24)19-9-8-16(14-18(19)22)23-21(26)17-7-5-6-15(2)20(17)27-3/h5-9,14H,4,10-13H2,1-3H3,(H,23,26)/p+1