(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27ClN2O3/c1-3-28-21-19(23)15-18(16-20(21)27-2)22(26)25-13-11-24(12-14-25)10-9-17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3/p+1