3-chloranyl-4-ethoxy-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 3-chloro-4-ethoxy-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 3-chloro-4-ethoxy-5-methoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 3-chloro-4-ethoxy-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H28ClN3O3/c1-3-29-21-19(23)15-17(16-20(21)28-2)22(27)24-9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16H,3,9-14H2,1-2H3,(H,24,27)/p+1