[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(2-methoxy-5-methylphenyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methylphenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-16-3-8-20(26-2)19(15-16)21(25)24-11-9-23(10-12-24)13-14-27-18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3/p+1