N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3,4,5-trimethoxy-benzamide Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4/c1-24-7-9-25(10-8-24)17-6-5-15(13-16(17)22)23-21(26)14-11-18(27-2)20(29-4)19(12-14)28-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,26)/p+1