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

Systemtic Name: 1-(3-chlorophenyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazin-4-ium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H25ClN2O2/c1-3-25-20-13-16(7-8-19(20)24-2)15-22-9-11-23(12-10-22)18-6-4-5-17(21)14-18/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1