N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3/c1-4-24-9-11-25(12-10-24)18-7-6-16(14-17(18)22)23-21(26)15-5-8-19(27-2)20(13-15)28-3/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)/p+1