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

Systemtic Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Openeye Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone CAS Name: [4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(4-ethoxy-3-methoxyphenyl)methanone IUPAC Name: [4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone Traditional Name: [4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c1-3-27-19-8-7-17(14-20(19)26-2)21(25)24-11-9-23(10-12-24)15-16-5-4-6-18(22)13-16/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1