4-[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine

Systemtic Name: 4-[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Openeye Name: 4-[[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine CAS Name: 4-[[6-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-pyridinyl]sulfonyl]morpholine IUPAC Name: 4-[6-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]pyridin-3-yl]sulfonylmorpholine Traditional Name: 4-[[6-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-pyridyl]sulfonyl]morpholine Formula: C20H26ClN4O3S+ MolecularWeight: 437.96344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H25ClN4O3S/c21-18-3-1-2-17(14-18)16-23-6-8-24(9-7-23)20-5-4-19(15-22-20)29(26,27)25-10-12-28-13-11-25/h1-5,14-15H,6-13,16H2/p+1