[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-prop-2-enoxy-phenyl)methanone Openeye Name: (4-allyloxy-3-methoxy-phenyl)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-methoxy-4-prop-2-enoxyphenyl)methanone Traditional Name: (4-allyloxy-3-methoxy-phenyl)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OCC=C

InChI

InChI=1S/C22H25ClN2O3/c1-3-14-28-20-9-6-18(15-21(20)27-2)22(26)25-12-10-24(11-13-25)16-17-4-7-19(23)8-5-17/h3-9,15H,1,10-14,16H2,2H3/p+1