N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-diethoxy-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-diethoxy-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-diethoxy-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3,5-diethoxybenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,5-diethoxybenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3,5-diethoxy-benzamide Formula: C28H33ClN3O3+ MolecularWeight: 495.03292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)OCC

InChI

InChI=1S/C28H32ClN3O3/c1-3-34-25-17-22(18-26(19-25)35-4-2)28(33)30-23-9-11-24(12-10-23)32-15-13-31(14-16-32)20-21-7-5-6-8-27(21)29/h5-12,17-19H,3-4,13-16,20H2,1-2H3,(H,30,33)/p+1