2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[4-(4-chlorobenzyl)oxy-3-methoxy-benzoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C26H33ClN3O4+ MolecularWeight: 487.01092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H32ClN3O4/c1-33-24-17-21(7-10-23(24)34-19-20-5-8-22(27)9-6-20)26(32)30-15-13-28(14-16-30)18-25(31)29-11-3-2-4-12-29/h5-10,17H,2-4,11-16,18-19H2,1H3/p+1