4-[[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-chlorobenzyl)oxy-3-methoxy-benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C27H27ClN3O3+ MolecularWeight: 476.97458

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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)C#N)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN3O3/c1-33-26-16-23(8-11-25(26)34-19-22-6-9-24(28)10-7-22)27(32)31-14-12-30(13-15-31)18-21-4-2-20(17-29)3-5-21/h2-11,16H,12-15,18-19H2,1H3/p+1