[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone Formula: C22H28ClN2O3+ MolecularWeight: 403.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C22H27ClN2O3/c1-3-27-20-9-8-18(15-21(20)28-4-2)22(26)25-12-10-24(11-13-25)16-17-6-5-7-19(23)14-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3/p+1